Materials Data on Nb2AlC by Materials Project

doi:10.17188/1317061

Title: Materials Data on Nb2AlC by Materials Project

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Abstract

Nb2AlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent C atoms. All Nb–Al bond lengths are 2.88 Å. All Nb–C bond lengths are 2.19 Å. Al is bonded to six equivalent Nb atoms to form distorted AlNb6 cuboctahedra that share corners with six equivalent CNb6 octahedra, edges with six equivalent AlNb6 cuboctahedra, and edges with six equivalent CNb6 octahedra. The corner-sharing octahedral tilt angles are 17°. C is bonded to six equivalent Nb atoms to form CNb6 octahedra that share corners with six equivalent AlNb6 cuboctahedra, edges with six equivalent AlNb6 cuboctahedra, and edges with six equivalent CNb6 octahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-996162

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; Nb2AlC; Al-C-Nb

OSTI Identifier:: 1317061

DOI:: https://doi.org/10.17188/1317061

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                    The Materials Project. Materials Data on Nb2AlC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317061.

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                    The Materials Project. Materials Data on Nb2AlC by Materials Project.  United States.  doi:https://doi.org/10.17188/1317061

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                    The Materials Project. 2020.  
"Materials Data on Nb2AlC by Materials Project".  United States.  doi:https://doi.org/10.17188/1317061.  https://www.osti.gov/servlets/purl/1317061. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1317061,

  title        = {Materials Data on Nb2AlC by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb2AlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent C atoms. All Nb–Al bond lengths are 2.88 Å. All Nb–C bond lengths are 2.19 Å. Al is bonded to six equivalent Nb atoms to form distorted AlNb6 cuboctahedra that share corners with six equivalent CNb6 octahedra, edges with six equivalent AlNb6 cuboctahedra, and edges with six equivalent CNb6 octahedra. The corner-sharing octahedral tilt angles are 17°. C is bonded to six equivalent Nb atoms to form CNb6 octahedra that share corners with six equivalent AlNb6 cuboctahedra, edges with six equivalent AlNb6 cuboctahedra, and edges with six equivalent CNb6 octahedra.},

  doi          = {10.17188/1317061},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1317061

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