Materials Data on VCrGeC by Materials Project

doi:10.17188/1679732

Title: Materials Data on VCrGeC by Materials Project

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Abstract

(Cr0.5V0.5)2GeC is MAX Phase-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to three equivalent Ge and three equivalent C atoms. All V–Ge bond lengths are 2.66 Å. All V–C bond lengths are 2.03 Å. Cr is bonded in a 6-coordinate geometry to three equivalent Ge and three equivalent C atoms. All Cr–Ge bond lengths are 2.59 Å. All Cr–C bond lengths are 1.99 Å. Ge is bonded in a 12-coordinate geometry to three equivalent V and three equivalent Cr atoms. There are two inequivalent C sites. In the first C site, C is bonded to six equivalent Cr atoms to form edge-sharing CCr6 octahedra. In the second C site, C is bonded to six equivalent V atoms to form edge-sharing CV6 octahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1216420

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; VCrGeC; C-Cr-Ge-V

OSTI Identifier:: 1679732

DOI:: https://doi.org/10.17188/1679732

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                    The Materials Project. Materials Data on VCrGeC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1679732.

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                    The Materials Project. Materials Data on VCrGeC by Materials Project.  United States.  doi:https://doi.org/10.17188/1679732

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                    The Materials Project. 2020.  
"Materials Data on VCrGeC by Materials Project".  United States.  doi:https://doi.org/10.17188/1679732.  https://www.osti.gov/servlets/purl/1679732. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1679732,

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

  author       = {The Materials Project},

  abstractNote = {(Cr0.5V0.5)2GeC is MAX Phase-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to three equivalent Ge and three equivalent C atoms. All V–Ge bond lengths are 2.66 Å. All V–C bond lengths are 2.03 Å. Cr is bonded in a 6-coordinate geometry to three equivalent Ge and three equivalent C atoms. All Cr–Ge bond lengths are 2.59 Å. All Cr–C bond lengths are 1.99 Å. Ge is bonded in a 12-coordinate geometry to three equivalent V and three equivalent Cr atoms. There are two inequivalent C sites. In the first C site, C is bonded to six equivalent Cr atoms to form edge-sharing CCr6 octahedra. In the second C site, C is bonded to six equivalent V atoms to form edge-sharing CV6 octahedra.},

  doi          = {10.17188/1679732},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1679732

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