Materials Data on LaMnO3 (SG:62) by Materials Project

doi:10.17188/1606265

Title: Materials Data on LaMnO3 (SG:62) by Materials Project

Abstract

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

Publication Date:: 2011-10-01

Other Number(s):: mp-17554

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; LaMnO3; La-Mn-O; ICSD-182576; ICSD-82226; ICSD-82228; ICSD-161929; ICSD-50335; ICSD-168694; ICSD-90424; ICSD-161928; ICSD-182575; ICSD-167070; ICSD-88388; ICSD-150260; ICSD-82227; ICSD-83761; ICSD-91175; ICSD-16280; ICSD-185279; ICSD-50336; ICSD-162002; ICSD-50334; ICSD-56616; ICSD-54919; ICSD-51653; ICSD-16281; electronic bandstructure

OSTI Identifier:: 1606265

DOI:: 10.17188/1606265

Citation Formats


                    The Materials Project. Materials Data on LaMnO3 (SG:62) by Materials Project.  United States: N. p., 2011. 
        Web.  doi:10.17188/1606265.

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                    The Materials Project. Materials Data on LaMnO3 (SG:62) by Materials Project.  United States.  doi:10.17188/1606265.

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                    The Materials Project. 2011.  
"Materials Data on LaMnO3 (SG:62) by Materials Project".  United States.  doi:10.17188/1606265.  https://www.osti.gov/servlets/purl/1606265. Pub date:Sat Oct 01 00:00:00 EDT 2011

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@article{osti_1606265,

  title        = {Materials Data on LaMnO3 (SG:62) by Materials Project},

  author       = {The Materials Project},

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

  doi          = {10.17188/1606265},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2011},

  month        = {10}

}

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DOI: 10.17188/1606265

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The Materials Project

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 »

Works referenced in this record:

LaMnO3 Perovskite Supported Noble Metal Catalysts for the Total Oxidation of Methane
journal, July 2007

Giebeler, L.; Kießling, D.; Wendt, G.
Chemical Engineering & Technology, Vol. 30, Issue 7
DOI: 10.1002/ceat.200600306

Pd–LaMnO3 as dual site catalysts for methane combustion
journal, August 2007

Cimino, S.; Casaletto, M. P.; Lisi, L.
Applied Catalysis A: General, Vol. 327, Issue 2
DOI: 10.1016/j.apcata.2007.05.021

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

Materials Data on LaMnO3 (SG:62) by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on LaMnO3 (SG:62) by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on LaMnO3 by Materials Project

Dataset The Materials Project

LaMnO3 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.52–2.79 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.52–2.79 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. Themore »« less
Materials Data on LaMnO3 by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on LaMnO3 by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These 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)

Title: Materials Data on LaMnO3 (SG:62) by Materials Project

Abstract

Citation Formats

LaMnO3 Perovskite Supported Noble Metal Catalysts for the Total Oxidation of Methane journal, July 2007

Pd–LaMnO3 as dual site catalysts for methane combustion journal, August 2007

LaMnO3 Perovskite Supported Noble Metal Catalysts for the Total Oxidation of Methane
journal, July 2007

Pd–LaMnO3 as dual site catalysts for methane combustion
journal, August 2007