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Title: Materials Data on InCuSe2 by Materials Project

Abstract

CuInSe2 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 InSe4 tetrahedra. All Cu–Se bond lengths are 2.45 Å. In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All In–Se bond lengths are 2.66 Å. Se2- is bonded to two equivalent Cu1+ and two equivalent In3+ atoms to form corner-sharing SeIn2Cu2 tetrahedra.

Publication Date:
Other Number(s):
mp-22811
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; InCuSe2; Cu-In-Se
OSTI Identifier:
1198997
DOI:
10.17188/1198997

Citation Formats

The Materials Project. Materials Data on InCuSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198997.
The Materials Project. Materials Data on InCuSe2 by Materials Project. United States. doi:10.17188/1198997.
The Materials Project. 2020. "Materials Data on InCuSe2 by Materials Project". United States. doi:10.17188/1198997. https://www.osti.gov/servlets/purl/1198997. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1198997,
title = {Materials Data on InCuSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuInSe2 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 InSe4 tetrahedra. All Cu–Se bond lengths are 2.45 Å. In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All In–Se bond lengths are 2.66 Å. Se2- is bonded to two equivalent Cu1+ and two equivalent In3+ atoms to form corner-sharing SeIn2Cu2 tetrahedra.},
doi = {10.17188/1198997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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