Materials Data on SrV6O11 (SG:194) by Materials Project

doi:10.17188/1200512

Title: Materials Data on SrV6O11 (SG:194) by Materials Project

Dataset
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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

Authors:: The Materials Project

Publication Date:: Fri Apr 22 00:00:00 EDT 2016

Other Number(s):: mp-25128

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; O11 Sr1 V6; O-Sr-V; ICSD-261129; ICSD-93594

OSTI Identifier:: 1200512

DOI:: https://doi.org/10.17188/1200512

Citation Formats


                    The Materials Project. Materials Data on SrV6O11 (SG:194) by Materials Project.  United States: N. p., 2016. 
        Web.  doi:10.17188/1200512.

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                    The Materials Project. Materials Data on SrV6O11 (SG:194) by Materials Project.  United States.  doi:https://doi.org/10.17188/1200512

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                    The Materials Project. 2016.  
"Materials Data on SrV6O11 (SG:194) by Materials Project".  United States.  doi:https://doi.org/10.17188/1200512.  https://www.osti.gov/servlets/purl/1200512. Pub date:Fri Apr 22 00:00:00 EDT 2016

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@article{osti_1200512,

  title        = {Materials Data on SrV6O11 (SG:194) 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          = {10.17188/1200512},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Apr 22 00:00:00 EDT 2016},

  month        = {Fri Apr 22 00:00:00 EDT 2016}

}

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DOI: https://doi.org/10.17188/1200512

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

Materials Data on SrV6O11 (SG:194) 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 SrV6O11 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 SrV6O11 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 SrV6O11 by Materials Project

Dataset The Materials Project

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Materials Data on SrV6O11 by Materials Project

Dataset The Materials Project

SrV6O11 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with six equivalent SrO12 cuboctahedra, edges with six VO6 octahedra, edges with three equivalent VO5 trigonal bipyramids, and faces with six VO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.72–3.01 Å. There are six inequivalent V+3.33+ sites. In the first V+3.33+ site, V+3.33+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four VO6 octahedra, corners with two equivalent VO5 trigonal bipyramids, edges with twomore »« less

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