Materials Data on TaPbBr by Materials Project

doi:10.17188/1279141

Title: Materials Data on TaPbBr by Materials Project

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Abstract

TaPbBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded to six equivalent Pb and four equivalent Br atoms to form a mixture of distorted corner and face-sharing TaPb6Br4 tetrahedra. All Ta–Pb bond lengths are 3.39 Å. All Ta–Br bond lengths are 2.94 Å. Pb is bonded in a 4-coordinate geometry to six equivalent Ta and four equivalent Br atoms. All Pb–Br bond lengths are 2.94 Å. Br is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Pb atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-631423

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; TaPbBr; Br-Pb-Ta

OSTI Identifier:: 1279141

DOI:: https://doi.org/10.17188/1279141

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                    The Materials Project. Materials Data on TaPbBr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279141.

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                    The Materials Project. Materials Data on TaPbBr by Materials Project.  United States.  doi:https://doi.org/10.17188/1279141

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                    The Materials Project. 2020.  
"Materials Data on TaPbBr by Materials Project".  United States.  doi:https://doi.org/10.17188/1279141.  https://www.osti.gov/servlets/purl/1279141. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1279141,

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

  author       = {The Materials Project},

  abstractNote = {TaPbBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ta is bonded to six equivalent Pb and four equivalent Br atoms to form a mixture of distorted corner and face-sharing TaPb6Br4 tetrahedra. All Ta–Pb bond lengths are 3.39 Å. All Ta–Br bond lengths are 2.94 Å. Pb is bonded in a 4-coordinate geometry to six equivalent Ta and four equivalent Br atoms. All Pb–Br bond lengths are 2.94 Å. Br is bonded in a body-centered cubic geometry to four equivalent Ta and four equivalent Pb atoms.},

  doi          = {10.17188/1279141},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279141

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