SG Biofuels | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
Biofuels Jump to: navigation, search Name: SG Biofuels Address: 132. N. El Camino Real Place: Encinitas, California Zip: 92024 Region: Southern CA Area Sector: Biofuels Product:...
SG BioFuels | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
SG BioFuels Jump to: navigation, search Name: SG BioFuels Place: Encinitas, California Zip: 92024 Product: California-based biofuel producer operating across the United States....
T-651: Blue Coat ProxySG Discloses Potentially Sensitive Information in Core Files
Office of Energy Efficiency and Renewable Energy (EERE)
A vulnerability was reported in Blue Coat ProxySG. A local user can obtain potentially sensitive information
Copy of FINAL SG Demo Project List 11 13 09-External.xls | Department...
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
of FINAL SG Demo Project List 11 13 09-External.xls More Documents & Publications Smart Grid Regional and Energy Storage Demonstration Projects: Awards Energy Storage Activities...
Malli, Gulzari L.
2015-02-14
Our ab initio all-electron fully relativistic Dirac–Fock (DF) and nonrelativistic (NR) Hartree-Fock calculations predict the DF relativistic and NR energies for the reaction: Sg + 6 CO → Sg(CO){sub 6} as −7.39 and −6.96 eV, respectively, i.e., our calculated ground state total DF relativistic and NR energies for the reaction product Sg(CO){sub 6} are lower by 7.39 and 6.96 eV than the total DF and NR ground state energies of the reactants, viz., one Sg atom plus six CO molecules, respectively. Our calculated DF relativistic and NR atomization energies (Ae) are 65.23 and 64.82 eV, respectively, and so the contribution of relativistic effects to the Ae of ∼0.40 eV is marginal. The Sg–C and C–O optimized bond distances for the octahedral geometry as calculated in our DF (NR) calculations are 2.151 (2.318 Å) and 1.119 (1.114 Å), respectively. The BSSE correction calculated using the DIRAC code ∼14 kcal/mol. The relativistic DF and NR mean energies predicted by us are 118.8 and 111.9 kJ/mol, respectively, and the contribution of ∼7 kJ/mol due to relativistic effects to the mean energy of Sg(CO){sub 6} is negligible. Ours are the first calculations of the relativistic effects for the atomization energy, mean bond energy, and energy of the reaction for possible formation of Sg(CO){sub 6}, and both our relativistic DF and the NR treatments clearly predict for the first time the existence of hexacarbonyl of the transactinide superheavy element seaborgium Sg. In conclusion, relativistic effects are not significant for Sg(CO){sub 6}.
Measurement of the {sup 208}Pb({sup 52}Cr,n){sup 259}Sg excitation function
Folden III, C. M.; Dragojevic, I.; Garcia, M. A.; Gates, J. M.; Nelson, S. L.; Hoffman, D. C.; Nitsche, H.; Duellmann, Ch. E.; Sudowe, R.; Gregorich, K. E.; Eichler, R.
2009-02-15
The excitation function for the {sup 208}Pb({sup 52}Cr,n){sup 259}Sg reaction has been measured using the Berkeley Gas-filled Separator at the Lawrence Berkeley National Laboratory 88-Inch Cyclotron. The maximum cross section of 320{sub -100}{sup +110} pb is observed at a center-of-target laboratory-frame energy of 253.0 MeV. In total, 25 decay chains originating from {sup 259}Sg were observed and the measured decay properties are in good agreement with previous reports. In addition, a partial excitation function for the {sup 208}Pb({sup 52}Cr,2n){sup 258}Sg reaction was obtained, and an improved {sup 258}Sg half-life of 2.6{sub -0.4}{sup +0.6} ms was calculated by combining all available experimental data.
STAC -- a new Swedish code for statistical analysis of cracks in SG-tubes
Poern, K.
1997-02-01
Steam generator (SG) tubes in pressurized water reactor plants are exposed to various types of degradation processes, among which stress corrosion cracking in particular has been observed. To be able to evaluate the safety importance of such cracking of SG-tubes one has to have a good and empirically founded knowledge about the scope and the size of the cracks as well as the rate of their continuous growth. The basis of experience is to a large extent constituted of the annually performed SG-inspections and crack sizing procedures. On the basis of this experience one can estimate the distribution of existing crack lengths, and modify this distribution with regard to maintenance (plugging) and the predicted rate of crack propagation. Finally, one can calculate the rupture probability of SG-tubes as a function of a given critical crack length. On account of the Swedish Nuclear Power Inspectorate an introductory study has been performed in order to get a survey of what has been done elsewhere in this field. The study resulted in a proposal of a computerizable model to be able to estimate the distribution of true cracks, to modify this distribution due to the crack growth and to compute the probability of tube rupture. The model has now been implemented in a compute code, called STAC (STatistical Analysis of Cracks). This paper is aimed to give a brief outline of the model to facilitate the understanding of the possibilities and limitations associated with the model.
Seul, K.W.; Bang, Y.S.; Lee, S.; Kim, H.J.
1996-09-01
The objective of the present work is to identify the predictability of RELAP5/MOD3.1 regarding thermal-hydraulic behavior during a steam generator tube rupture (SGTR). To evaluate the computed results, LSTF SB-SG-06 test data simulating the SGTR that occurred at the Mihama Unit 2 in 1991 are used. Also, some sensitivity studies of the code change in RELAP5, the break simulation model, and the break valve discharge coefficient are performed. The calculation results indicate that the RELAP5/MOD3.1 code predicted well the sequence of events and the major phenomena during the transient, such as the asymmetric loop behavior, reactor coolant system (RCS) cooldown and heat transfer by natural circulation, the primary and secondary system depressurization by the pressurizer auxiliary spray and the steam dump using the intact loop steam generator (SG) relief valve, and so on. However, there are some differences from the experimental data in the number of the relief valve cycling in the affected SG, and the flow regime of the hot leg with the pressurizer, and the break flow rates. Finally, the calculation also indicates that the coolant in the core could remain in a subcooled state as a result of the heat transfer caused by the natural circulation flow even if the reactor coolant pumps (RCPs) turned off and that the affected SG could be properly isolated to minimize the radiological release after the SGTR.
Johnston, Robert; Rogelj, Snezna; Harper, Jason C.; Tartis, Michaelann
2014-12-12
In nature, cells perform a variety of complex functions such as sensing, catalysis, and energy conversion which hold great potential for biotechnological device construction. However, cellular sensitivity to ex vivo environments necessitates development of bio–nano interfaces which allow integration of cells into devices and maintain their desired functionality. In order to develop such an interface, the use of a novel Sol-Generating Chemical Vapor into Liquid (SG-CViL) deposition process for whole cell encapsulation in silica was explored. In SG-CViL, the high vapor pressure of tetramethyl orthosilicate (TMOS) is utilized to deliver silica into an aqueous medium, creating a silica sol. Cells are then mixed with the resulting silica sol, facilitating encapsulation of cells in silica while minimizing cell contact with the cytotoxic products of silica generating reactions (i.e. methanol), and reduce exposure of cells to compressive stresses induced from silica condensation reactions. Using SG-CVIL, Saccharomyces cerevisiae (S. cerevisiae) engineered with an inducible beta galactosidase system were encapsulated in silica solids and remained both viable and responsive 29 days post encapsulation. By tuning SG-CViL parameters, thin layer silica deposition on mammalian HeLa and U87 human cancer cells was also achieved. Furthermore, the ability to encapsulate various cell types in either a multi cell (S. cerevisiae) or a thin layer (HeLa and U87 cells) fashion shows the promise of SG-CViL as an encapsulation strategy for generating cell–silica constructs with diverse functions for incorporation into devices for sensing, bioelectronics, biocatalysis, and biofuel applications.
Johnston, Robert; Rogelj, Snezna; Harper, Jason C.; Tartis, Michaelann
2014-12-12
In nature, cells perform a variety of complex functions such as sensing, catalysis, and energy conversion which hold great potential for biotechnological device construction. However, cellular sensitivity to ex vivo environments necessitates development of bio–nano interfaces which allow integration of cells into devices and maintain their desired functionality. In order to develop such an interface, the use of a novel Sol-Generating Chemical Vapor into Liquid (SG-CViL) deposition process for whole cell encapsulation in silica was explored. In SG-CViL, the high vapor pressure of tetramethyl orthosilicate (TMOS) is utilized to deliver silica into an aqueous medium, creating a silica sol. Cellsmore » are then mixed with the resulting silica sol, facilitating encapsulation of cells in silica while minimizing cell contact with the cytotoxic products of silica generating reactions (i.e. methanol), and reduce exposure of cells to compressive stresses induced from silica condensation reactions. Using SG-CVIL, Saccharomyces cerevisiae (S. cerevisiae) engineered with an inducible beta galactosidase system were encapsulated in silica solids and remained both viable and responsive 29 days post encapsulation. By tuning SG-CViL parameters, thin layer silica deposition on mammalian HeLa and U87 human cancer cells was also achieved. Furthermore, the ability to encapsulate various cell types in either a multi cell (S. cerevisiae) or a thin layer (HeLa and U87 cells) fashion shows the promise of SG-CViL as an encapsulation strategy for generating cell–silica constructs with diverse functions for incorporation into devices for sensing, bioelectronics, biocatalysis, and biofuel applications.« less
Experimental characterization of pressure drops and channel instabilities in helical coil SG tubes
Colombo, M.; Cammi, A.; De Amicis, J.; Ricotti, M. E.
2012-07-01
Helical tube heat exchangers provide better heat transfer characteristics, an improved capability to accommodate stresses due to thermal expansions and a more compact design with respect to straight tube heat exchangers. For these advantages they are considered as an option for the Steam Generator (SG) of many new reactor projects of Generation III+ and Generation IV. In particular, their compactness fits well with the requirements of Small-medium Modular Reactors (SMRs) of integral design, where all the primary system components are located inside the reactor vessel. In this framework, thermal hydraulics of helical pipes has been studied in recent years by Politecnico di Milano in different experimental campaigns. Experiments have been carried out in a full-scale open loop test facility installed at SIET labs in Piacenza (Italy)), to simulate the SG of a typical SMR. The facility includes two helical pipes (1 m coil diameter, 32 m length, 8 m height), connected via lower and upper headers. Following recently completed experimental campaigns dedicated to pressure drops and density wave instabilities, this paper deals with a new experimental campaign focused on both pressure drops (single-phase flow and two-phase flow, laminar and turbulent regimes) and flow instabilities. The availability of a large number of experimental data, in particular on two-phase flow, is of fundamental interest for correlation development, model validation and code assessment. Two-phase pressure drops have been measured in adiabatic conditions, ranging from 200 to 600 kg/m{sup 2}s for the mass flux, from 30 to 60 bar for the pressure and from 0.1 to 1.0 for the flow quality. The channel characteristics mass flow rate - pressure drop has been determined experimentally in the range 10-40 bar, varying the mass flow rate at a fixed value of the thermal flux. In addition, single-phase pressure drops have been measured in both laminar and turbulent conditions. Density wave instabilities have
Search for: All records | SciTech Connect
Office of Scientific and Technical Information (OSTI)
Filter Results Filter by Subject Filter by Author Bolstad, Paul V (1) Chen, Jiquan (1) Cook, Bruce D (1) Davis, Kenneth (1) Desai, Desai Ankur R. (1) Euskirchen, Eugenie S (1)...
Hao, Liang; Zhao, Yiqing; Hu, Xiaoyan; Zou, Shiyang; Yang, Dong; Wang, Feng; Peng, Xiaoshi; Li, Zhichao; Li, Sanwei; Xu, Tao; Wei, Huiyue; Liu, Zhanjun; Zheng, Chunyang
2014-07-15
Experiments about the observations of stimulated Raman backscatter (SRS) and stimulated Brillouin backscatter (SBS) in Hohlraum were performed on Shenguang-III (SG-III) prototype facility for the first time in 2011. In this paper, relevant experimental results are analyzed for the first time with a one-dimension spectral analysis code, which is developed to study the coexistent process of SRS and SBS in Hohlraum plasma condition. Spectral features of the backscattered light are discussed with different plasma parameters. In the case of empty Hohlraum experiments, simulation results indicate that SBS, which grows fast at the energy deposition region near the Hohlraum wall, is the dominant instability process. The time resolved spectra of SRS and SBS are numerically obtained, which agree with the experimental observations. For the gas-filled Hohlraum experiments, simulation results show that SBS grows fastest in Au plasma and amplifies convectively in C{sub 5}H{sub 12} gas, whereas SRS mainly grows in the high density region of the C{sub 5}H{sub 12} gas. Gain spectra and the spectra of backscattered light are simulated along the ray path, which clearly show the location where the intensity of scattered light with a certain wavelength increases. This work is helpful to comprehend the observed spectral features of SRS and SBS. The experiments and relevant analysis provide references for the ignition target design in future.
Office of Environmental Management (EM)
... Currently AMI comprises about 4.7% of all electric meters and their use for demand response is growing. Approximately 52 million meters are projected to be installed by 2012. As ...
U.S. Department of Energy (DOE) all webpages (Extended Search)
... Knierim, Marcin Zemla, Michael Joo, David Larson, Roseann Csencsits, Bahram Parvin, ... Amita Gorur, Mitalee Desai, Manfred Auer, W.J. Costerton, J. Berleman, Trent Northen, D. ...
Past Middle School National Science Bowl Winners (2002 - 2015...
First Place Team: Hopkins Junior High School, Fremont, California Team Members: Raghu ... First Place Team: Challenger School, Newark, California Team Members: Nikhil Desai, Rahul ...
Energy Science and Technology Software Center (OSTI)
2011-08-30
GridLAB-D is a new power system simulation tool that provides valuable information to users who design and operate electric power transmission and distribution systems, and to utilities that wish to take advantage of the latest smart grid technology. This special release of GridLAB-D was developed to study the proposed Smart Grid technology that is used by Battelle Memorial Institute in the AEP gridSMART demonstration project in Northeast Columbus, Ohio.
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... Carter, Sandy Jowers (SWB receptionist) and John Haschets. Front row (L to R) Bob Weeks, Julie Desai and Tom Klein. Team ... Johnna was born at 5:10 a.m. on November 17. She weighed 8 ...
Desai, Narayan [ANL
2013-01-22
Argonne National Lab's Narayan Desai on "Scaling MG-RAST to Terabases" at the Metagenomics Informatics Challenges Workshop held at the DOE JGI on October 12-13, 2011.
070109-SG_Interoperability_Standards_ARRA.PDF
Office of Environmental Management (EM)
30 AUDIT REPORT PROJECT HANFORD MANAGEMENT CONTRACT COSTS AND PERFORMANCE U.S. DEPARTMENT OF ENERGY OFFICE OF INSPECTOR GENERAL OFFICE OF AUDIT SERVICES NOVEMBER 1998 November 5, 1998 MEMORANDUM FOR THE SECRETARY FROM: Gregory H. Friedman Inspector General SUBJECT: INFORMATION : Audit Report on "The U.S. Department of Energy's Project Han- ford Management Contract Costs and Performance" BACKGROUND To offset the negative impact of downsizing its facilities, the Department of Energy
070709-SG_Investment_Grants.pdf
Office of Environmental Management (EM)
SG Network System Requirements Specification- Interim Release...
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
This document has been created to support NIST Smart Grid Interoperability Priority Action ... More Documents & Publications Report to NIST on the Smart Grid Interoperability Standards ...
Smart Grid Conceptual Actors/Data Flow Diagram- Cross Domain Network
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Focued- Open SG/SG-Network TF | Department of Energy Smart Grid Conceptual Actors/Data Flow Diagram- Cross Domain Network Focued- Open SG/SG-Network TF Smart Grid Conceptual Actors/Data Flow Diagram- Cross Domain Network Focued- Open SG/SG-Network TF Smart Grid data flow diagram. Smart Grid Conceptual Actors/Data Flow Diagram- Cross Domain Network Focued- Open SG/SG-Network TF (523.02 KB) More Documents & Publications Report to NIST on the Smart Grid Interoperability Standards Roadmap SG
Materials Data on KAu2 (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KCN (SG:44) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KHg2 (SG:74) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KCd13 (SG:226) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-01-21
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KBi (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KBO2 (SG:167) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on VPO5 (SG:2) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KNO3 (SG:11) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on PHN2 (SG:24) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on UO2 (SG:225) by Materials Project
Kristin Persson
2015-01-27
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on PNO (SG:1) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KNO2 (SG:8) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on UB2 (SG:191) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ce (SG:194) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on SBr (SG:41) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YS (SG:139) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on SF4 (SG:121) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on BSBr (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on SCl2 (SG:19) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on SNCl (SG:11) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on SCl (SG:43) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on UPS (SG:129) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on USCl9 (SG:19) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on SOF2 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CSO (SG:160) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on UIN (SG:129) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-24
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CI4 (SG:121) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on PICl6 (SG:113) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on I (SG:64) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on IF7 (SG:41) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on ICl3 (SG:2) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Sr (SG:191) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Sr (SG:141) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Sr (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on PPd6 (SG:14) by Materials Project
Kristin Persson
2015-01-21
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KAg2 (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-01-27
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Fe (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Fe (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Fe (SG:229) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-01-27
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on VPO4 (SG:63) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on WC (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-01-27
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on W (SG:223) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on WO3 (SG:129) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on BW2 (SG:140) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on WSe2 (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YIr (SG:221) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YIr2 (SG:227) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on UIr3 (SG:221) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ir (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ca (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on VCl3 (SG:148) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Gd (SG:194) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ge (SG:148) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ge (SG:69) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Gd (SG:229) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Se (SG:148) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on PNO (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on PNF2 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on NO (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KBH4 (SG:137) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KHS (SG:160) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on HBr (SG:19) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on URh3 (SG:221) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on VFe (SG:221) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on VOs (SG:221) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on La (SG:225) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KBS2 (SG:167) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on SNF (SG:148) by Materials Project
Kristin Persson
2014-07-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Te (SG:51) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Tl (SG:225) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Al (SG:225) by Materials Project
Kristin Persson
2015-01-27
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on URu3 (SG:221) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on B (SG:166) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on B (SG:134) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on BN (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on UAl2 (SG:227) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-01-27
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on UPd3 (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Pd (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YPS4 (SG:142) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on USO (SG:129) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on S (SG:221) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on BPS4 (SG:23) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on WO3 (SG:130) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on WO3 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on WO3 (SG:60) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on WO3 (SG:221) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on VO2 (SG:139) by Materials Project
Kristin Persson
2014-11-14
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KI (SG:221) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Yb (SG:225) by Materials Project
Kristin Persson
2014-11-14
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on P (SG:2) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on P (SG:64) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on P (SG:166) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on P (SG:12) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on VPO4 (SG:62) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-04-03
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on VPO5 (SG:62) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on VAu2 (SG:63) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on V (SG:229) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on WSCl4 (SG:2) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on WO3 (SG:185) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on WBr6 (SG:148) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on WS2 (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on PW (SG:62) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on WCl6 (SG:164) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on PWO5 (SG:33) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on WCl5 (SG:12) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-01-27
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on WO3 (SG:193) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on WCl3 (SG:148) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Hg (SG:166) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KHg11 (SG:221) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on C (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KCO3 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on C (SG:166) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YC2 (SG:139) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on C (SG:206) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on USb (SG:221) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on UAu2 (SG:191) by Materials Project
Kristin Persson
2015-02-18
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YAl (SG:63) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Hg (SG:191) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on VIr3 (SG:221) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on UCo2 (SG:227) by Materials Project
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YAl3 (SG:221) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YAl (SG:221) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KPHNO2 (SG:148) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on PHF2 (SG:19) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on UF6 (SG:62) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cr (SG:223) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on UGa3 (SG:221) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on He (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on He (SG:229) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ni (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ni (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-01-27
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on HRh (SG:225) by Materials Project
Kristin Persson
2015-04-29
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on HBr (SG:225) by Materials Project
Kristin Persson
2015-04-16
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on HCl (SG:225) by Materials Project
Kristin Persson
2015-05-16
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on UH3 (SG:223) by Materials Project
Kristin Persson
2015-04-29
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YH3 (SG:194) by Materials Project
Kristin Persson
2015-04-29
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on VO2 (SG:166) by Materials Project
Kristin Persson
2015-03-07
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CO2 (SG:136) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Pa (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Mn (SG:217) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Th (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Th (SG:229) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Microsoft Word - BBEE_BPA_in_template_SG__011013.doc
U.S. Department of Energy (DOE) all webpages (Extended Search)
utility programs focused on encouraging adoption of EE technology. There is a substantial body of knowledge and experience associated with behavior change that is rooted in the...
Microsoft Word - SG_Roadmap_9-16.doc
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Smart Grid Roadmap for the State of New York September 15, 2010 Table of Contents New York State Smart Grid Consortium September 2010 i 1 Introduction ............................................................................................................................ 1 2 Executive Summary ............................................................................................................... 3 3 The Consortium Smart Grid Vision
Materials Data on YZn12 (SG:139) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YZn3 (SG:62) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-19
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YOF (SG:166) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YSF (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YHg2 (SG:191) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YGa6 (SG:125) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YZn5 (SG:191) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YCBr (SG:59) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-04-15
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Y (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YOF (SG:216) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on YHg3 (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Microsoft PowerPoint - Create Business Case for SG Implement...
U.S. Department of Energy (DOE) all webpages (Extended Search)
Delivery and Energy Reliability Conducted by the National Energy Technology Laboratory Office of Electricity Delivery and Energy Reliability MODERN GRID S T R A T E G Y 2 ...
Materials Data on Os (SG:194) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on UOs2 (SG:227) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Te (SG:221) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Te (SG:152) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-01-27
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
U.S. Energy Information Administration (EIA) (indexed site)
INDIA: Short- and medium-term economic outlook Seema Desai Analyst, Asia desai@eurasiagroup.net (020) 7553 9833 7 April 2008 Prepared for Energy Information Administration Unmistakable economic slowdown gathering pace 0 2 4 6 8 10 12 14 16 J a n - 0 2 J u l - 0 2 J a n - 0 3 J u l - 0 3 J a n - 0 4 J u l - 0 4 J a n - 0 5 J u l - 0 5 J a n - 0 6 J u l - 0 6 J a n - 0 7 J u l - 0 7 J a n - 0 8 %y/y Industrial production Economic outlook for 2008-2010 * Government facing growth/inflation
Multi-domain Job Coscheduling for Leadership Computing Systems | Argonne
U.S. Department of Energy (DOE) all webpages (Extended Search)
Leadership Computing Facility Multi-domain Job Coscheduling for Leadership Computing Systems Authors: Tang, W., Desai, N., Vishwanath, V., Buettner, D., Lan, Z. Current supercomputing centers usually deploy a large-scale compute system together with an associated data analysis or visualization system. Multiple scenarios have driven the demand that some associated jobs co-execute on different machines. We propose a multi-domain coscheduling mechanism, providing the ability to coordinate
Fault-Aware Utility-Based Job Scheduling on Blue Gene/P systems | Argonne
U.S. Department of Energy (DOE) all webpages (Extended Search)
Leadership Computing Facility Fault-Aware Utility-Based Job Scheduling on Blue Gene/P systems Authors: Tang, W., Lan, Z., Desai, N., Buettner, D. Job scheduling on large-scale systems is increasingly a complicated affair, with numerous factors influencing scheduling policy. Addressing these concerns results in sophisticated scheduling policies that can be difficult to reason about. In this paper, we present a general utility-based scheduling framework to balance different scheduling
Pennsylvania State University: Technical Design Report
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
A Review of the Conceptual Design Process and the Analysis of the Remote Wind PSU Turbine Prepared for: The DOE Collegiate Wind Turbine Design Competition Principle Contributors: Ken Palamara Parth Patel Mike Popp Sahil Desai Greg Liptak Jake Lampenfield Armstrong Liu Kevin Knechtel Advisors Dr. Susan Stewart Dr. Dennis McLaughlin Assistant Professor & Research Associate, Aerospace Engineering Professor of Aerospace Engineering Mr. Brian Wallace Ph.D. Candidate in Aerospace Engineering 1
Analyzing and Adjusting User Runtime Estimates to Improve Job Scheduling on
U.S. Department of Energy (DOE) all webpages (Extended Search)
Blue Gene/P | Argonne Leadership Computing Facility Analyzing and Adjusting User Runtime Estimates to Improve Job Scheduling on Blue Gene/P Authors: Tang, W., Desai, N., Buettner, D., Lan, Z. Backfilling and short-job-first are widely acknowledged enhancements to the simple but popular first-come, first-served job scheduling policy. However, both enhancements depend on user-provided estimates of job runtime, which research has repeatedly shown to be inaccurate. We have investigated the
2012 Smart Grid Peer Review Presentations - Day 2 Second Afternoon...
- Bill Becker, Spirae (978.28 KB) 2012 SG Peer Review - Interoperability of Demand Response Resources in New York - Andre Wellington, ConEd NY (136.92 KB) 2012 SG Peer Review ...
Microsoft Word - 09102641_DVP.doc
Office of Legacy Management (LM)
... Date Uranium (mgL) L(SG) OBS-3 S(SG) Location Page 65 Attachment 3 Sampling and Analysis ... 13, 2009 TO: Dick Johnson FROM: Jeff Price SUBJECT: Trip Report Site: Bluewater, New ...
2012 Smart Grid Peer Review Presentations - Day 1 Afternoon Session...
Day 1 afternoon sessions are below. Moderators: Eric Lightner and Merrill Smith 2012 SG Peer Review - GridWise Architecture Council - Ron Melton, PNNL (493.9 KB) 2012 SG Peer ...
Materials Data on K2NaAs (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-04-10
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KAlO (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-04-10
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KClO2 (SG:63) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KSnSb (SG:186) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K4P21I (SG:63) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KAuS5 (SG:72) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K(BH)6 (SG:202) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KFeS2 (SG:15) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K3AsS4 (SG:62) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KAuSe5 (SG:72) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K(BH)5 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KRb2ZrOF5 (SG:107) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K7LiSi8 (SG:205) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2TaF7 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2CoO2 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K6Fe2O5 (SG:8) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K(V5S8)2 (SG:13) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-01-21
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2(SO2)3 (SG:62) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KCe5S8 (SG:82) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2Hg7 (SG:164) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K4C2O3 (SG:1) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-04-10
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K3Bi (SG:185) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KAl2Br7 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K3CoO2 (SG:62) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KSnAs (SG:186) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K6Si2O7 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2PSe3 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K3PbAu5 (SG:74) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K(SnAu2)2 (SG:120) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K(CoSe)2 (SG:139) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2MgF4 (SG:139) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K4GaAu8 (SG:12) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-01-27
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2SbF5 (SG:63) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K3PSe4 (SG:62) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KN3O4 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KCuF3 (SG:140) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2TaCl6 (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KTeAu (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KTaO3 (SG:221) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KPb2Br5 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2CO3 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2TiF6 (SG:164) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K(MoO3)3 (SG:12) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KAuI3 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2SiF6 (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2Mo2O7 (SG:2) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K(WO3)6 (SG:191) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KBiSe2 (SG:141) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K(SnSe2)2 (SG:8) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K9Ta10O30 (SG:2) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KCuO2 (SG:63) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K(BH)3 (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K(PRh)2 (SG:139) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2Ta3Cl9 (SG:12) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KSb3O5 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K(USe3)2 (SG:71) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2PtF6 (SG:164) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K3(NiO2)2 (SG:63) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K5Hg7 (SG:57) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-10
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K3FeO2 (SG:92) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KHo2F7 (SG:12) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K(CoS)2 (SG:139) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2(NbBr3)3 (SG:12) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KY3F10 (SG:160) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K3VS4 (SG:62) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CsK2 (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2UO4 (SG:139) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2SnBi (SG:57) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-18
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K(AsRh)2 (SG:139) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K(InAu2)2 (SG:140) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-01-27
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KMgF3 (SG:221) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K3Zn2F7 (SG:139) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Sn2Ir (SG:225) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TmSnPd2 (SG:225) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Mn(PO3)3 (SG:19) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CuSbS2 (SG:62) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on BiO (SG:160) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on DyP (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on LiSb3O8 (SG:14) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on NaBiSe2 (SG:141) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Li2Mn15O32 (SG:160) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on LiAlO2 (SG:115) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ga2NiO4 (SG:74) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on BiPbF5 (SG:1) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CuI (SG:216) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Fe2CoO4 (SG:152) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CeThO4 (SG:123) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Zr4N2O5 (SG:1) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on MgGeP2 (SG:122) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Li2CuGe (SG:216) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Zn2PtO4 (SG:74) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Na3UO4 (SG:65) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Fe2NiO4 (SG:74) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Zn2SnO4 (SG:74) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on LiNdS2 (SG:141) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Sr5P3BrO12 (SG:176) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on NbBi3O7 (SG:8) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on BaPrO3 (SG:62) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on LiErSe2 (SG:141) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Nd2CdSe4 (SG:122) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Co2SnO4 (SG:74) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Li4SiO4 (SG:1) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Al2FeO4 (SG:74) by Materials Project
Kristin Persson
2014-09-30
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Li31Zr2Sb13 (SG:160) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cu2HgI4 (SG:121) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CaHN (SG:107) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ag3AuS2 (SG:1) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CaPrMn2O6 (SG:31) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ca(DyS2)2 (SG:122) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on MnIn2O4 (SG:227) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Sm2Hf2O7 (SG:227) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on BH6N (SG:31) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on ZnFe5O8 (SG:216) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on LiMn4O8 (SG:216) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on LiMg9B20 (SG:2) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Zn(GaSe2)2 (SG:82) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Y2CdS4 (SG:227) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Zn(FeO2)2 (SG:160) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Mg(InTe2)2 (SG:121) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Sm2CdS4 (SG:122) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on ZnCrF6 (SG:148) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TaBi3O7 (SG:1) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on NaYF4 (SG:143) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ca(LaS2)2 (SG:122) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Li2TiO3 (SG:15) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Na(CoO2)3 (SG:1) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ag3(AsO4)2 (SG:146) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Lu10Ti6O27 (SG:8) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CeOF (SG:216) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on PuOF (SG:216) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Sr5P3ClO12 (SG:176) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Dy5AgS8 (SG:82) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on NaAlB14 (SG:74) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Al2FeO4 (SG:156) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Pr5AgSe8 (SG:82) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Zn2GeSe4 (SG:121) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ca4Sb2S (SG:122) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ti(FeO2)4 (SG:12) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on La2CdSe4 (SG:122) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Al2FeO4 (SG:8) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Pr2CdS4 (SG:122) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on NdMnO3 (SG:62) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Na2CeO3 (SG:123) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on BiTe3 (SG:160) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CaLaTiCrO6 (SG:7) by Materials Project
Kristin Persson
2014-09-30
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Al2CdO4 (SG:227) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on NaPF3 (SG:1) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CuCN (SG:160) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Zn(CN)2 (SG:102) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Li3TaO4 (SG:139) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Li2HN (SG:160) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on SrAl2O4 (SG:178) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Fe11(NiO3)8 (SG:12) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Al5CuS8 (SG:216) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Zr7(NO2)4 (SG:2) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ho2CdS4 (SG:119) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Pr5CuSe8 (SG:82) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ce2Y2O7 (SG:1) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Sr2H5Rh (SG:107) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on NbO2F (SG:15) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Be(CN)2 (SG:102) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Li2NiF4 (SG:74) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Mg(CN)2 (SG:102) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on HgPbF6 (SG:148) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Al(CN)3 (SG:113) by Materials Project
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on ThTeO (SG:129) by Materials Project
Kristin Persson
2014-07-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on ThMn2 (SG:194) by Materials Project
Kristin Persson
2015-01-27
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Pu2O3 (SG:164) by Materials Project
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Li2CdCl4 (SG:74) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(InTe2)2 (SG:82) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(C2N3)2 (SG:58) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd3AsCl3 (SG:62) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TbCd2 (SG:191) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CdP2 (SG:33) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ce2CdSe4 (SG:122) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-04-10
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CeCd2Ag (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd5Au3 (SG:140) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-19
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on BaCdBi2 (SG:139) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(GaTe2)2 (SG:82) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on EuCd2 (SG:74) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Al2CdSe4 (SG:227) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(GaO2)2 (SG:227) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(NO3)2 (SG:29) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(AuF4)2 (SG:124) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Pr2CdSe4 (SG:122) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(PO3)2 (SG:61) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(RhO2)2 (SG:227) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on NaCdF3 (SG:161) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(FeO2)2 (SG:227) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CdBi3O7 (SG:8) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on SmCd2 (SG:191) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Na2CdSn (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on La2CdS4 (SG:122) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CdCO3 (SG:167) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(BO2)2 (SG:173) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on MgCd3 (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd2SiO4 (SG:70) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Sm2CdSe4 (SG:122) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ca9Cd4Bi9 (SG:55) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(GaSe2)2 (SG:82) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on NdTiCdSbO7 (SG:91) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Eu(CdP)2 (SG:164) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TlCdCl3 (SG:62) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd2GeO4 (SG:62) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CdSiAs2 (SG:122) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Tb2CdS4 (SG:122) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2CdO2 (SG:60) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(CN)2 (SG:215) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(HO)2 (SG:8) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on GdTiCdSbO7 (SG:91) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(GaSe2)2 (SG:119) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-04-10
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TbCdF6 (SG:84) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd3Au (SG:185) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(InSe2)2 (SG:119) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-04-15
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(W3Br7)2 (SG:201) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ho2CdSe4 (SG:227) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Nd2CdS4 (SG:122) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd5Cu2 (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Na6CdCl8 (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CdGeP2 (SG:122) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(GaS2)2 (SG:82) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd2AsCl2 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2CdN12 (SG:12) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TiCd (SG:129) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TbCd3 (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ce2CdS4 (SG:122) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-04-10
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ti2Cd (SG:139) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TmCd3 (SG:63) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on La2Cd17 (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KCd(NO2)3 (SG:200) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-01-27
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Mg3Cd (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-19
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CdBr2 (SG:186) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(IO3)2 (SG:19) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on RbCd(NO2)3 (SG:200) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Tm2CdS4 (SG:227) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on ScCd7 (SG:63) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(InSe2)2 (SG:82) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Al2CdSe4 (SG:82) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on ScCd3 (SG:194) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd(InSe2)2 (SG:227) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CdSnAs2 (SG:122) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on BaCd11 (SG:141) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-22
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on ZnCdPt2 (SG:123) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd2AgAu (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-22
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ge7F16 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KAsSe2 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on LiMn4(PO4)3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ca(Nd2Se3)4 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd4SiSe6 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ga(PO3)3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on P3RhO9 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd2P3Cl (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on KTcCl3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ga2Se3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CaAsH5O6 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TlBSe3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ba3Pt2O7 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-04-15
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Si(Hg2S3)2 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ca2Si5N8 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Na4FeO3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on In(PO3)3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Li3Mn2(PO4)3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TeSeO4 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Na4SnO3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on SiCu2Se3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd4SiS6 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on ClO3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2Si6GeO15 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on LaP2 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Mn4(PO4)3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-29
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cu2GeS3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-05-16
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on SiCu2S3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on LaAs2 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Tl4GeS4 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ca(Pr2Se3)4 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ti3Fe7O15 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on SbXe2F9 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cu2SnSe3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cu2SnS3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Al2Se3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on K2Si2O5 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Na3Sc2(PO4)3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ca(Ce2Se3)4 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-05-16
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ca(Sm2Se3)4 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-04-10
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Na4CoO3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Cd4GeSe6 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on CeCoC2 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Si(Hg2Se3)2 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-03-08
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Na4ReN3 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ba2WO3F4 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ba(BS2)2 (SG:9) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Sc(TiN)9 (SG:2) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-04-15
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on ErP (SG:225) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-02-09
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Fe(WO4)2 (SG:15) by Materials Project
Kristin Persson
2015-04-29
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on LiWO2 (SG:166) by Materials Project
Kristin Persson
2015-03-07
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on LiNi(WO4)2 (SG:1) by Materials Project
Kristin Persson
2015-04-29
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Ag2Se (SG:64) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2015-05-16
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Nd3Ge5 (SG:43) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TiO2 (SG:15) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TiO2 (SG:61) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TiO2 (SG:227) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TiO2 (SG:166) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TiO2 (SG:60) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TiO2 (SG:141) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TiO2 (SG:136) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TiO2 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Be(B3H7)2 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on H5IO6 (SG:14) by Materials Project
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Kristin Persson
2014-11-02
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations