Materials Data on CaZrPd by Materials Project

doi:10.17188/1279120

Title: Materials Data on CaZrPd by Materials Project

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Abstract

CaZrPd is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Pd atoms. All Ca–Zr bond lengths are 2.86 Å. All Ca–Pd bond lengths are 2.86 Å. Zr is bonded in a 10-coordinate geometry to four equivalent Ca and six equivalent Pd atoms. All Zr–Pd bond lengths are 3.31 Å. Pd is bonded to four equivalent Ca and six equivalent Zr atoms to form a mixture of distorted corner and face-sharing PdCa4Zr6 tetrahedra.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-631394

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; CaZrPd; Ca-Pd-Zr

OSTI Identifier:: 1279120

DOI:: https://doi.org/10.17188/1279120

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                    The Materials Project. Materials Data on CaZrPd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279120.

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                    The Materials Project. Materials Data on CaZrPd by Materials Project.  United States.  doi:https://doi.org/10.17188/1279120

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                    The Materials Project. 2020.  
"Materials Data on CaZrPd by Materials Project".  United States.  doi:https://doi.org/10.17188/1279120.  https://www.osti.gov/servlets/purl/1279120. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1279120,

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

  author       = {The Materials Project},

  abstractNote = {CaZrPd is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Pd atoms. All Ca–Zr bond lengths are 2.86 Å. All Ca–Pd bond lengths are 2.86 Å. Zr is bonded in a 10-coordinate geometry to four equivalent Ca and six equivalent Pd atoms. All Zr–Pd bond lengths are 3.31 Å. Pd is bonded to four equivalent Ca and six equivalent Zr atoms to form a mixture of distorted corner and face-sharing PdCa4Zr6 tetrahedra.},

  doi          = {10.17188/1279120},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279120

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