Materials Data on NbSe2 by Materials Project

doi:10.17188/1197331

Title: Materials Data on NbSe2 by Materials Project

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Abstract

NbSe2 is Molybdenite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two NbSe2 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. All Nb–Se bond lengths are 2.63 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-2207

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Nb-Se; NbSe2; crystal structure

OSTI Identifier:: 1197331

DOI:: https://doi.org/10.17188/1197331

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                    Materials Data on NbSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197331.

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                    Materials Data on NbSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197331

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                    2020.  
"Materials Data on NbSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197331.  https://www.osti.gov/servlets/purl/1197331. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1197331,

  title        = {Materials Data on NbSe2 by Materials Project},

  
  abstractNote = {NbSe2 is Molybdenite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two NbSe2 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. All Nb–Se bond lengths are 2.63 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.},

  doi          = {10.17188/1197331},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1197331

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Materials Data on NbSe2 by Materials Project

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