Materials Data on NbN by Materials Project

doi:10.17188/1201275

Title: Materials Data on NbN by Materials Project

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Abstract

NbN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner and edge-sharing NbN6 pentagonal pyramids. All Nb–N bond lengths are 2.23 Å. N3- is bonded to six equivalent Nb3+ atoms to form a mixture of corner, edge, and face-sharing NNb6 octahedra. The corner-sharing octahedral tilt angles are 46°.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-2701

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; NbN; N-Nb

OSTI Identifier:: 1201275

DOI:: https://doi.org/10.17188/1201275

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                    The Materials Project. Materials Data on NbN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201275.

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                    The Materials Project. Materials Data on NbN by Materials Project.  United States.  doi:https://doi.org/10.17188/1201275

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                    The Materials Project. 2020.  
"Materials Data on NbN by Materials Project".  United States.  doi:https://doi.org/10.17188/1201275.  https://www.osti.gov/servlets/purl/1201275. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1201275,

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

  author       = {The Materials Project},

  abstractNote = {NbN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner and edge-sharing NbN6 pentagonal pyramids. All Nb–N bond lengths are 2.23 Å. N3- is bonded to six equivalent Nb3+ atoms to form a mixture of corner, edge, and face-sharing NNb6 octahedra. The corner-sharing octahedral tilt angles are 46°.},

  doi          = {10.17188/1201275},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201275

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Materials Data on NbN by Materials Project

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NbN is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb3+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge, face, and corner-sharing NbN6 pentagonal pyramids. All Nb–N bond lengths are 2.25 Å. N3- is bonded to six equivalent Nb3+ atoms to form a mixture of distorted edge, face, and corner-sharing NNb6 pentagonal pyramids.
Materials Data on NbN by Materials Project

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NbN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb3+ is bonded to six N3- atoms to form a mixture of face, edge, and corner-sharing NbN6 octahedra. The corner-sharing octahedra tilt angles range from 0–45°. There are three shorter (2.23 Å) and three longer (2.26 Å) Nb–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Nb3+ atoms to form a mixture of edge and corner-sharing NNb6 octahedra. In the second N3- site, N3- is bonded to six equivalent Nb3+more »« less
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NbN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb3+ is bonded to six equivalent N3- atoms to form a mixture of corner and edge-sharing NbN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–N bond lengths are 2.23 Å. N3- is bonded to six equivalent Nb3+ atoms to form a mixture of corner and edge-sharing NNb6 octahedra. The corner-sharing octahedral tilt angles are 0°.
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Materials Data on NbN by Materials Project

Dataset The Materials Project

NbN is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb3+ is bonded to six equivalent N3- atoms to form a mixture of edge, corner, and face-sharing NbN6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Nb–N bond lengths are 2.25 Å. N3- is bonded to six equivalent Nb3+ atoms to form a mixture of distorted edge and corner-sharing NNb6 pentagonal pyramids.

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