Materials Data on GaNi3C by Materials Project

doi:10.17188/1677271

Title: Materials Data on GaNi3C by Materials Project

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Abstract

GaCNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a linear geometry to four equivalent Ga and two equivalent C atoms. All Ni–Ga bond lengths are 2.67 Å. Both Ni–C bond lengths are 1.89 Å. Ga is bonded to twelve equivalent Ni atoms to form GaNi12 cuboctahedra that share corners with twelve equivalent GaNi12 cuboctahedra, faces with six equivalent GaNi12 cuboctahedra, and faces with eight equivalent CNi6 octahedra. C is bonded to six equivalent Ni atoms to form CNi6 octahedra that share corners with six equivalent CNi6 octahedra and faces with eight equivalent GaNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1206991

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; GaNi3C; C-Ga-Ni

OSTI Identifier:: 1677271

DOI:: https://doi.org/10.17188/1677271

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                    The Materials Project. Materials Data on GaNi3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677271.

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                    The Materials Project. Materials Data on GaNi3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1677271

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                    The Materials Project. 2020.  
"Materials Data on GaNi3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1677271.  https://www.osti.gov/servlets/purl/1677271. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1677271,

  title        = {Materials Data on GaNi3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GaCNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a linear geometry to four equivalent Ga and two equivalent C atoms. All Ni–Ga bond lengths are 2.67 Å. Both Ni–C bond lengths are 1.89 Å. Ga is bonded to twelve equivalent Ni atoms to form GaNi12 cuboctahedra that share corners with twelve equivalent GaNi12 cuboctahedra, faces with six equivalent GaNi12 cuboctahedra, and faces with eight equivalent CNi6 octahedra. C is bonded to six equivalent Ni atoms to form CNi6 octahedra that share corners with six equivalent CNi6 octahedra and faces with eight equivalent GaNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1677271},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1677271

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