Materials Data on Nb4N3 by Materials Project

doi:10.17188/1722022

Title: Materials Data on Nb4N3 by Materials Project

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Abstract

Nb4N3 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one Nb4N3 sheet oriented in the (0, 0, 1) direction. Nb+2.25+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. There are two shorter (2.15 Å) and two longer (2.44 Å) Nb–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to four equivalent Nb+2.25+ atoms. In the second N3- site, N3- is bonded in a body-centered cubic geometry to eight equivalent Nb+2.25+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1220519

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; Nb4N3; N-Nb

OSTI Identifier:: 1722022

DOI:: https://doi.org/10.17188/1722022

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                    The Materials Project. Materials Data on Nb4N3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722022.

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                    The Materials Project. Materials Data on Nb4N3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722022

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                    The Materials Project. 2020.  
"Materials Data on Nb4N3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722022.  https://www.osti.gov/servlets/purl/1722022. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1722022,

  title        = {Materials Data on Nb4N3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb4N3 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one Nb4N3 sheet oriented in the (0, 0, 1) direction. Nb+2.25+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. There are two shorter (2.15 Å) and two longer (2.44 Å) Nb–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to four equivalent Nb+2.25+ atoms. In the second N3- site, N3- is bonded in a body-centered cubic geometry to eight equivalent Nb+2.25+ atoms.},

  doi          = {10.17188/1722022},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1722022

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