Materials Data on Sc3GaC by Materials Project

doi:10.17188/1309159

Title: Materials Data on Sc3GaC by Materials Project

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Abstract

Sc3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent Ga and two equivalent C atoms. All Sc–Ga bond lengths are 3.17 Å. Both Sc–C bond lengths are 2.24 Å. Ga is bonded to twelve equivalent Sc atoms to form GaSc12 cuboctahedra that share corners with twelve equivalent GaSc12 cuboctahedra, faces with six equivalent GaSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent GaSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-8577

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; Sc3GaC; C-Ga-Sc

OSTI Identifier:: 1309159

DOI:: https://doi.org/10.17188/1309159

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                    The Materials Project. Materials Data on Sc3GaC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1309159.

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                    The Materials Project. Materials Data on Sc3GaC by Materials Project.  United States.  doi:https://doi.org/10.17188/1309159

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                    The Materials Project. 2020.  
"Materials Data on Sc3GaC by Materials Project".  United States.  doi:https://doi.org/10.17188/1309159.  https://www.osti.gov/servlets/purl/1309159. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1309159,

  title        = {Materials Data on Sc3GaC by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent Ga and two equivalent C atoms. All Sc–Ga bond lengths are 3.17 Å. Both Sc–C bond lengths are 2.24 Å. Ga is bonded to twelve equivalent Sc atoms to form GaSc12 cuboctahedra that share corners with twelve equivalent GaSc12 cuboctahedra, faces with six equivalent GaSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent GaSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1309159},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1309159

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