Materials Data on ScVO3 by Materials Project

doi:10.17188/1313984

Title: Materials Data on ScVO3 by Materials Project

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Abstract

ScVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc3+ is bonded to twelve equivalent O2- atoms to form ScO12 cuboctahedra that share corners with twelve equivalent ScO12 cuboctahedra, faces with six equivalent ScO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Sc–O bond lengths are 2.68 Å. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent ScO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Sc3+ and two equivalent V3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-972978

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; ScVO3; O-Sc-V

OSTI Identifier:: 1313984

DOI:: https://doi.org/10.17188/1313984

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                    The Materials Project. Materials Data on ScVO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313984.

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                    The Materials Project. Materials Data on ScVO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313984

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                    The Materials Project. 2020.  
"Materials Data on ScVO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313984.  https://www.osti.gov/servlets/purl/1313984. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1313984,

  title        = {Materials Data on ScVO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ScVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc3+ is bonded to twelve equivalent O2- atoms to form ScO12 cuboctahedra that share corners with twelve equivalent ScO12 cuboctahedra, faces with six equivalent ScO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Sc–O bond lengths are 2.68 Å. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent ScO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Sc3+ and two equivalent V3+ atoms.},

  doi          = {10.17188/1313984},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1313984

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