Materials Data on NbCu3Se4 by Materials Project

doi:10.17188/1207789

Title: Materials Data on NbCu3Se4 by Materials Project

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Abstract

Cu3NbSe4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Nb5+ is bonded to four equivalent Se2- atoms to form NbSe4 tetrahedra that share edges with six equivalent CuSe4 tetrahedra. All Nb–Se bond lengths are 2.47 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with eight equivalent CuSe4 tetrahedra and edges with two equivalent NbSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Se2- is bonded to one Nb5+ and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeNbCu3 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-4043

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; NbCu3Se4; Cu-Nb-Se

OSTI Identifier:: 1207789

DOI:: https://doi.org/10.17188/1207789

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                    The Materials Project. Materials Data on NbCu3Se4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207789.

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                    The Materials Project. Materials Data on NbCu3Se4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207789

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                    The Materials Project. 2020.  
"Materials Data on NbCu3Se4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207789.  https://www.osti.gov/servlets/purl/1207789. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1207789,

  title        = {Materials Data on NbCu3Se4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu3NbSe4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Nb5+ is bonded to four equivalent Se2- atoms to form NbSe4 tetrahedra that share edges with six equivalent CuSe4 tetrahedra. All Nb–Se bond lengths are 2.47 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with eight equivalent CuSe4 tetrahedra and edges with two equivalent NbSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Se2- is bonded to one Nb5+ and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeNbCu3 tetrahedra.},

  doi          = {10.17188/1207789},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207789

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