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Title: Materials Data on GaCuSe2 by Materials Project

Abstract

CuGaSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent GaSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent GaSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Ga–Se bond lengths are 2.47 Å. Se2- is bonded to two equivalent Cu1+ and two equivalent Ga3+ atoms to form corner-sharing SeGa2Cu2 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4840
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; GaCuSe2; Cu-Ga-Se
OSTI Identifier:
1208435
DOI:
10.17188/1208435

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on GaCuSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208435.
Persson, Kristin, & Project, Materials. Materials Data on GaCuSe2 by Materials Project. United States. doi:10.17188/1208435.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on GaCuSe2 by Materials Project". United States. doi:10.17188/1208435. https://www.osti.gov/servlets/purl/1208435. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1208435,
title = {Materials Data on GaCuSe2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CuGaSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent GaSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent GaSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Ga–Se bond lengths are 2.47 Å. Se2- is bonded to two equivalent Cu1+ and two equivalent Ga3+ atoms to form corner-sharing SeGa2Cu2 tetrahedra.},
doi = {10.17188/1208435},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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