Materials Data on ZrAsIr by Materials Project

doi:10.17188/1738332

Title: Materials Data on ZrAsIr by Materials Project

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Abstract

ZrIrAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to six equivalent Ir and four equivalent As atoms. All Zr–Ir bond lengths are 3.06 Å. All Zr–As bond lengths are 2.65 Å. Ir is bonded in a distorted q6 geometry to six equivalent Zr and four equivalent As atoms. All Ir–As bond lengths are 2.65 Å. As is bonded in a distorted body-centered cubic geometry to four equivalent Zr and four equivalent Ir atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1093990

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; ZrAsIr; As-Ir-Zr

OSTI Identifier:: 1738332

DOI:: https://doi.org/10.17188/1738332

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                    The Materials Project. Materials Data on ZrAsIr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738332.

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                    The Materials Project. Materials Data on ZrAsIr by Materials Project.  United States.  doi:https://doi.org/10.17188/1738332

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                    The Materials Project. 2020.  
"Materials Data on ZrAsIr by Materials Project".  United States.  doi:https://doi.org/10.17188/1738332.  https://www.osti.gov/servlets/purl/1738332. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1738332,

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

  author       = {The Materials Project},

  abstractNote = {ZrIrAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to six equivalent Ir and four equivalent As atoms. All Zr–Ir bond lengths are 3.06 Å. All Zr–As bond lengths are 2.65 Å. Ir is bonded in a distorted q6 geometry to six equivalent Zr and four equivalent As atoms. All Ir–As bond lengths are 2.65 Å. As is bonded in a distorted body-centered cubic geometry to four equivalent Zr and four equivalent Ir atoms.},

  doi          = {10.17188/1738332},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1738332

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