Materials Data on NbVH4 by Materials Project

doi:10.17188/1708576

Title: Materials Data on NbVH4 by Materials Project

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Abstract

NbVH4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Nb2+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Nb–H bond lengths are 1.97 Å. V2+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All V–H bond lengths are 1.85 Å. H1- is bonded to two equivalent Nb2+ and two equivalent V2+ atoms to form a mixture of edge and corner-sharing HNb2V2 tetrahedra.

Publication Date:: 2020-05-04

Other Number(s):: mp-1220315

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; H-Nb-V; NbVH4; crystal structure

OSTI Identifier:: 1708576

DOI:: https://doi.org/10.17188/1708576

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                    Materials Data on NbVH4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1708576.

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                    Materials Data on NbVH4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1708576

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                    2020.  
"Materials Data on NbVH4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1708576.  https://www.osti.gov/servlets/purl/1708576. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1708576,

  title        = {Materials Data on NbVH4 by Materials Project},

  
  abstractNote = {NbVH4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Nb2+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Nb–H bond lengths are 1.97 Å. V2+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All V–H bond lengths are 1.85 Å. H1- is bonded to two equivalent Nb2+ and two equivalent V2+ atoms to form a mixture of edge and corner-sharing HNb2V2 tetrahedra.},

  doi          = {10.17188/1708576},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1708576

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