Materials Data on AlV2C by Materials Project

doi:10.17188/1355509

Title: Materials Data on AlV2C by Materials Project

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Abstract

V2AlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent C atoms. All V–Al bond lengths are 2.73 Å. All V–C bond lengths are 2.02 Å. Al is bonded to six equivalent V and six equivalent Al atoms to form AlAl6V6 cuboctahedra that share corners with six equivalent AlAl6V6 cuboctahedra, corners with six equivalent CV6 octahedra, edges with six equivalent AlAl6V6 cuboctahedra, edges with six equivalent CV6 octahedra, and faces with six equivalent AlAl6V6 cuboctahedra. The corner-sharing octahedral tilt angles are 18°. All Al–Al bond lengths are 2.91 Å. C is bonded to six equivalent V atoms to form CV6 octahedra that share corners with six equivalent AlAl6V6 cuboctahedra, edges with six equivalent AlAl6V6 cuboctahedra, and edges with six equivalent CV6 octahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-1025497

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; AlV2C; Al-C-V

OSTI Identifier:: 1355509

DOI:: https://doi.org/10.17188/1355509

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                    The Materials Project. Materials Data on AlV2C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355509.

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                    The Materials Project. Materials Data on AlV2C by Materials Project.  United States.  doi:https://doi.org/10.17188/1355509

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                    The Materials Project. 2020.  
"Materials Data on AlV2C by Materials Project".  United States.  doi:https://doi.org/10.17188/1355509.  https://www.osti.gov/servlets/purl/1355509. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1355509,

  title        = {Materials Data on AlV2C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2AlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent C atoms. All V–Al bond lengths are 2.73 Å. All V–C bond lengths are 2.02 Å. Al is bonded to six equivalent V and six equivalent Al atoms to form AlAl6V6 cuboctahedra that share corners with six equivalent AlAl6V6 cuboctahedra, corners with six equivalent CV6 octahedra, edges with six equivalent AlAl6V6 cuboctahedra, edges with six equivalent CV6 octahedra, and faces with six equivalent AlAl6V6 cuboctahedra. The corner-sharing octahedral tilt angles are 18°. All Al–Al bond lengths are 2.91 Å. C is bonded to six equivalent V atoms to form CV6 octahedra that share corners with six equivalent AlAl6V6 cuboctahedra, edges with six equivalent AlAl6V6 cuboctahedra, and edges with six equivalent CV6 octahedra.},

  doi          = {10.17188/1355509},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1355509

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