Materials Data on GaCuS2 by Materials Project
Abstract
CuGaS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with eight equivalent GaS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Ga–S bond lengths are 2.32 Å. S2- is bonded to two equivalent Cu1+ and two equivalent Ga3+ atoms to form corner-sharing SGa2Cu2 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-5238
- 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; GaCuS2; Cu-Ga-S
- OSTI Identifier:
- 1263156
- DOI:
- 10.17188/1263156
Citation Formats
The Materials Project. Materials Data on GaCuS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263156.
The Materials Project. Materials Data on GaCuS2 by Materials Project. United States. doi:10.17188/1263156.
The Materials Project. 2020.
"Materials Data on GaCuS2 by Materials Project". United States. doi:10.17188/1263156. https://www.osti.gov/servlets/purl/1263156. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1263156,
title = {Materials Data on GaCuS2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuGaS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with eight equivalent GaS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Ga–S bond lengths are 2.32 Å. S2- is bonded to two equivalent Cu1+ and two equivalent Ga3+ atoms to form corner-sharing SGa2Cu2 tetrahedra.},
doi = {10.17188/1263156},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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