Materials Data on NbH by Materials Project

doi:10.17188/1680827

Title: Materials Data on NbH by Materials Project

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Abstract

NbH is Halite, Rock Salt-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nb is bonded to six equivalent H atoms to form a mixture of corner and edge-sharing NbH6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.98 Å) and four longer (2.27 Å) Nb–H bond lengths. H is bonded to six equivalent Nb atoms to form a mixture of corner and edge-sharing HNb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1220318

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; NbH; H-Nb

OSTI Identifier:: 1680827

DOI:: https://doi.org/10.17188/1680827

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                    The Materials Project. Materials Data on NbH by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1680827.

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                    The Materials Project. Materials Data on NbH by Materials Project.  United States.  doi:https://doi.org/10.17188/1680827

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                    The Materials Project. 2019.  
"Materials Data on NbH by Materials Project".  United States.  doi:https://doi.org/10.17188/1680827.  https://www.osti.gov/servlets/purl/1680827. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1680827,

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

  author       = {The Materials Project},

  abstractNote = {NbH is Halite, Rock Salt-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nb is bonded to six equivalent H atoms to form a mixture of corner and edge-sharing NbH6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.98 Å) and four longer (2.27 Å) Nb–H bond lengths. H is bonded to six equivalent Nb atoms to form a mixture of corner and edge-sharing HNb6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1680827},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1680827

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