Materials Data on Nb3As by Materials Project

doi:10.17188/1261738

Title: Materials Data on Nb3As by Materials Project

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Abstract

Nb3As crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to four equivalent As atoms. There are a spread of Nb–As bond distances ranging from 2.51–2.95 Å. In the second Nb site, Nb is bonded in a 2-coordinate geometry to three equivalent As atoms. There are a spread of Nb–As bond distances ranging from 2.60–2.92 Å. In the third Nb site, Nb is bonded in a distorted bent 150 degrees geometry to two equivalent As atoms. There are one shorter (2.60 Å) and one longer (2.62 Å) Nb–As bond lengths. As is bonded in a 9-coordinate geometry to nine Nb atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-504425

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; Nb3As; As-Nb

OSTI Identifier:: 1261738

DOI:: https://doi.org/10.17188/1261738

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                    The Materials Project. Materials Data on Nb3As by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1261738.

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                    The Materials Project. Materials Data on Nb3As by Materials Project.  United States.  doi:https://doi.org/10.17188/1261738

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                    The Materials Project. 2020.  
"Materials Data on Nb3As by Materials Project".  United States.  doi:https://doi.org/10.17188/1261738.  https://www.osti.gov/servlets/purl/1261738. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1261738,

  title        = {Materials Data on Nb3As by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb3As crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to four equivalent As atoms. There are a spread of Nb–As bond distances ranging from 2.51–2.95 Å. In the second Nb site, Nb is bonded in a 2-coordinate geometry to three equivalent As atoms. There are a spread of Nb–As bond distances ranging from 2.60–2.92 Å. In the third Nb site, Nb is bonded in a distorted bent 150 degrees geometry to two equivalent As atoms. There are one shorter (2.60 Å) and one longer (2.62 Å) Nb–As bond lengths. As is bonded in a 9-coordinate geometry to nine Nb atoms.},

  doi          = {10.17188/1261738},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1261738

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