Materials Data on Nb5Se4 by Materials Project

doi:10.17188/1191410

Title: Materials Data on Nb5Se4 by Materials Project

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Abstract

Nb5Se4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to five equivalent Se atoms to form a mixture of distorted edge and corner-sharing NbSe5 square pyramids. There are a spread of Nb–Se bond distances ranging from 2.63–2.71 Å. In the second Nb site, Nb is bonded in a distorted square co-planar geometry to four equivalent Se atoms. All Nb–Se bond lengths are 2.88 Å. Se is bonded in a 6-coordinate geometry to six Nb atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-15837

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; Nb5Se4; Nb-Se

OSTI Identifier:: 1191410

DOI:: https://doi.org/10.17188/1191410

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                    The Materials Project. Materials Data on Nb5Se4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191410.

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                    The Materials Project. Materials Data on Nb5Se4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191410

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                    The Materials Project. 2020.  
"Materials Data on Nb5Se4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191410.  https://www.osti.gov/servlets/purl/1191410. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1191410,

  title        = {Materials Data on Nb5Se4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb5Se4 is Titanium telluride structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to five equivalent Se atoms to form a mixture of distorted edge and corner-sharing NbSe5 square pyramids. There are a spread of Nb–Se bond distances ranging from 2.63–2.71 Å. In the second Nb site, Nb is bonded in a distorted square co-planar geometry to four equivalent Se atoms. All Nb–Se bond lengths are 2.88 Å. Se is bonded in a 6-coordinate geometry to six Nb atoms.},

  doi          = {10.17188/1191410},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1191410

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