Materials Data on ScPt3C by Materials Project

doi:10.17188/1350380

Title: Materials Data on ScPt3C by Materials Project

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Abstract

ScPt3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc2+ is bonded to twelve equivalent Pt2- atoms to form ScPt12 cuboctahedra that share corners with twelve equivalent ScPt12 cuboctahedra, faces with six equivalent ScPt12 cuboctahedra, and faces with eight equivalent CPt6 octahedra. All Sc–Pt bond lengths are 3.00 Å. Pt2- is bonded to four equivalent Sc2+ and two equivalent C4+ atoms to form a mixture of distorted edge, corner, and face-sharing PtSc4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pt–C bond lengths are 2.12 Å. C4+ is bonded to six equivalent Pt2- atoms to form CPt6 octahedra that share corners with six equivalent CPt6 octahedra and faces with eight equivalent ScPt12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-1018628

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; ScPt3C; C-Pt-Sc

OSTI Identifier:: 1350380

DOI:: https://doi.org/10.17188/1350380

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                    The Materials Project. Materials Data on ScPt3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350380.

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                    The Materials Project. Materials Data on ScPt3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1350380

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                    The Materials Project. 2020.  
"Materials Data on ScPt3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1350380.  https://www.osti.gov/servlets/purl/1350380. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1350380,

  title        = {Materials Data on ScPt3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ScPt3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc2+ is bonded to twelve equivalent Pt2- atoms to form ScPt12 cuboctahedra that share corners with twelve equivalent ScPt12 cuboctahedra, faces with six equivalent ScPt12 cuboctahedra, and faces with eight equivalent CPt6 octahedra. All Sc–Pt bond lengths are 3.00 Å. Pt2- is bonded to four equivalent Sc2+ and two equivalent C4+ atoms to form a mixture of distorted edge, corner, and face-sharing PtSc4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pt–C bond lengths are 2.12 Å. C4+ is bonded to six equivalent Pt2- atoms to form CPt6 octahedra that share corners with six equivalent CPt6 octahedra and faces with eight equivalent ScPt12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1350380},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1350380

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