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Title: Materials Data on GaReAs by Materials Project

Abstract

ReGaAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re is bonded in a 10-coordinate geometry to four equivalent Ga and six equivalent As atoms. All Re–Ga bond lengths are 2.61 Å. All Re–As bond lengths are 3.01 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent As atoms. All Ga–As bond lengths are 2.61 Å. As is bonded to six equivalent Re and four equivalent Ga atoms to form a mixture of distorted face and corner-sharing AsGa4Re6 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631572
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; GaReAs; As-Ga-Re
OSTI Identifier:
1279260
DOI:
10.17188/1279260

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on GaReAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279260.
Persson, Kristin, & Project, Materials. Materials Data on GaReAs by Materials Project. United States. doi:10.17188/1279260.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on GaReAs by Materials Project". United States. doi:10.17188/1279260. https://www.osti.gov/servlets/purl/1279260. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1279260,
title = {Materials Data on GaReAs by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ReGaAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re is bonded in a 10-coordinate geometry to four equivalent Ga and six equivalent As atoms. All Re–Ga bond lengths are 2.61 Å. All Re–As bond lengths are 3.01 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent As atoms. All Ga–As bond lengths are 2.61 Å. As is bonded to six equivalent Re and four equivalent Ga atoms to form a mixture of distorted face and corner-sharing AsGa4Re6 tetrahedra.},
doi = {10.17188/1279260},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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