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Title: Materials Data on CaRe2Si by Materials Project

Abstract

CaRe2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to eight equivalent Re and six equivalent Si atoms. All Ca–Re bond lengths are 2.73 Å. All Ca–Si bond lengths are 3.16 Å. Re is bonded to four equivalent Ca and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing ReCa4Si4 tetrahedra. All Re–Si bond lengths are 2.73 Å. Si is bonded in a 8-coordinate geometry to six equivalent Ca and eight equivalent Re atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631420
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; CaRe2Si; Ca-Re-Si
OSTI Identifier:
1279138
DOI:
10.17188/1279138

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CaRe2Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279138.
Persson, Kristin, & Project, Materials. Materials Data on CaRe2Si by Materials Project. United States. doi:10.17188/1279138.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CaRe2Si by Materials Project". United States. doi:10.17188/1279138. https://www.osti.gov/servlets/purl/1279138. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1279138,
title = {Materials Data on CaRe2Si by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CaRe2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to eight equivalent Re and six equivalent Si atoms. All Ca–Re bond lengths are 2.73 Å. All Ca–Si bond lengths are 3.16 Å. Re is bonded to four equivalent Ca and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing ReCa4Si4 tetrahedra. All Re–Si bond lengths are 2.73 Å. Si is bonded in a 8-coordinate geometry to six equivalent Ca and eight equivalent Re atoms.},
doi = {10.17188/1279138},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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