skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CuSiBr by Materials Project

Abstract

CuSiBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cu is bonded to four equivalent Si and four equivalent Br atoms to form distorted edge-sharing CuSi4Br4 tetrahedra. All Cu–Si bond lengths are 2.73 Å. All Cu–Br bond lengths are 2.73 Å. Si is bonded to four equivalent Cu atoms to form distorted SiCu4 tetrahedra that share corners with four equivalent BrCu4 tetrahedra, corners with twelve equivalent SiCu4 tetrahedra, and edges with six equivalent BrCu4 tetrahedra. Br is bonded to four equivalent Cu atoms to form BrCu4 tetrahedra that share corners with four equivalent SiCu4 tetrahedra, corners with twelve equivalent BrCu4 tetrahedra, and edges with six equivalent SiCu4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631422
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; CuSiBr; Br-Cu-Si
OSTI Identifier:
1279140
DOI:
10.17188/1279140

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CuSiBr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279140.
Persson, Kristin, & Project, Materials. Materials Data on CuSiBr by Materials Project. United States. doi:10.17188/1279140.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CuSiBr by Materials Project". United States. doi:10.17188/1279140. https://www.osti.gov/servlets/purl/1279140. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1279140,
title = {Materials Data on CuSiBr by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CuSiBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cu is bonded to four equivalent Si and four equivalent Br atoms to form distorted edge-sharing CuSi4Br4 tetrahedra. All Cu–Si bond lengths are 2.73 Å. All Cu–Br bond lengths are 2.73 Å. Si is bonded to four equivalent Cu atoms to form distorted SiCu4 tetrahedra that share corners with four equivalent BrCu4 tetrahedra, corners with twelve equivalent SiCu4 tetrahedra, and edges with six equivalent BrCu4 tetrahedra. Br is bonded to four equivalent Cu atoms to form BrCu4 tetrahedra that share corners with four equivalent SiCu4 tetrahedra, corners with twelve equivalent BrCu4 tetrahedra, and edges with six equivalent SiCu4 tetrahedra.},
doi = {10.17188/1279140},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: