Materials Data on NbCrN by Materials Project

doi:10.17188/1195278

Title: Materials Data on NbCrN by Materials Project

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Abstract

NbCrN crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one NbCrN sheet oriented in the (0, 0, 1) direction. Nb is bonded to five equivalent N atoms to form a mixture of distorted edge and corner-sharing NbN5 square pyramids. There are four shorter (2.17 Å) and one longer (2.35 Å) Nb–N bond lengths. Cr is bonded in a single-bond geometry to one N atom. The Cr–N bond length is 2.04 Å. N is bonded to five equivalent Nb and one Cr atom to form a mixture of edge and corner-sharing NNb5Cr octahedra. The corner-sharing octahedral tilt angles are 15°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-20133

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; NbCrN; Cr-N-Nb

OSTI Identifier:: 1195278

DOI:: https://doi.org/10.17188/1195278

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                    The Materials Project. Materials Data on NbCrN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195278.

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                    The Materials Project. Materials Data on NbCrN by Materials Project.  United States.  doi:https://doi.org/10.17188/1195278

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                    The Materials Project. 2020.  
"Materials Data on NbCrN by Materials Project".  United States.  doi:https://doi.org/10.17188/1195278.  https://www.osti.gov/servlets/purl/1195278. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195278,

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

  author       = {The Materials Project},

  abstractNote = {NbCrN crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one NbCrN sheet oriented in the (0, 0, 1) direction. Nb is bonded to five equivalent N atoms to form a mixture of distorted edge and corner-sharing NbN5 square pyramids. There are four shorter (2.17 Å) and one longer (2.35 Å) Nb–N bond lengths. Cr is bonded in a single-bond geometry to one N atom. The Cr–N bond length is 2.04 Å. N is bonded to five equivalent Nb and one Cr atom to form a mixture of edge and corner-sharing NNb5Cr octahedra. The corner-sharing octahedral tilt angles are 15°.},

  doi          = {10.17188/1195278},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195278

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