Materials Data on SrCrW2 by Materials Project

doi:10.17188/1279044

Title: Materials Data on SrCrW2 by Materials Project

Abstract

SrW2Cr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent W atoms. All Sr–W bond lengths are 2.84 Å. W is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Cr atoms. All W–Cr bond lengths are 2.84 Å. Cr is bonded in a distorted body-centered cubic geometry to eight equivalent W atoms.

Authors:: Persson, Kristin

Contributors:

Researcher:

Project, Materials

Publication Date:: 2020-07-23

Other Number(s):: mp-631277

DOE Contract Number:: AC02-05CH11231; EDCBEE

Product Type:: Dataset

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; SrCrW2; Cr-Sr-W

OSTI Identifier:: 1279044

DOI:: 10.17188/1279044

Citation Formats


                    Persson, Kristin, and Project, Materials. Materials Data on SrCrW2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279044.

Copy to clipboard


                    Persson, Kristin, & Project, Materials. Materials Data on SrCrW2 by Materials Project.  United States.  doi:10.17188/1279044.

Copy to clipboard


                    Persson, Kristin, and Project, Materials. 2020.  
"Materials Data on SrCrW2 by Materials Project".  United States.  doi:10.17188/1279044.  https://www.osti.gov/servlets/purl/1279044. Pub date:Thu Jul 23 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1279044,

  title        = {Materials Data on SrCrW2 by Materials Project},

  author       = {Persson, Kristin and Project, Materials},

  abstractNote = {SrW2Cr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent W atoms. All Sr–W bond lengths are 2.84 Å. W is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Cr atoms. All W–Cr bond lengths are 2.84 Å. Cr is bonded in a distorted body-centered cubic geometry to eight equivalent W atoms.},

  doi          = {10.17188/1279044},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: 10.17188/1279044

Save / Share:

Export Metadata

Save to My Library

The Materials Project

Persson, Kristin

Harnessing the power of supercomputing and state of the art electronic structure methods, the Materials Project provides open web-based access to computed information on known and predicted materials as well as powerful analysis tools to inspire and design novel materials. Experimental research can be targeted to the most promising compounds from computational data sets. Supercomputing clusters at national laboratories provide the infrastructure that enables computations, data, and algorithms to run at unparalleled speed. Researchers are be able to data-mine scientific trends in materials properties. By providing materials researchers with the information they need to design better, the Materials Project aimsmore »

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Sr2CoClO3 (SG:129) by Materials Project

Dataset Persson, Kristin

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Sr2MnCuSO3 (SG:129) by Materials Project

Dataset Persson, Kristin

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on TlV3Cu5O13 (SG:2) by Materials Project

Dataset Persson, Kristin

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Tb2Mo4O15 (SG:14) by Materials Project

Dataset Persson, Kristin

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Na4MoO5 (SG:2) by Materials Project

Dataset Persson, Kristin

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Similar Records

Research Org:	Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Argonne National Lab. (ANL), Argonne, IL (United States); University of Califorinia San Diego Supercomputing Center (SDSC), San Diego, CA (United States)
Sponsoring Org:	USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)