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Title: Materials Data on CaZrPd by Materials Project

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:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631394
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CaZrPd; Ca-Pd-Zr
OSTI Identifier:
1279120
DOI:
10.17188/1279120

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CaZrPd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279120.
Persson, Kristin, & Project, Materials. Materials Data on CaZrPd by Materials Project. United States. doi:10.17188/1279120.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CaZrPd by Materials Project". United States. doi:10.17188/1279120. https://www.osti.gov/servlets/purl/1279120. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279120,
title = {Materials Data on CaZrPd by Materials Project},
author = {Persson, Kristin and Project, Materials},
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 = {2020},
month = {7}
}

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