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Title: Materials Data on CdAs2S18N12(OF2)6 (SG:2) by Materials Project

Abstract

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Creator(s)/Author(s):
Publication Date:
Other Number(s):
mp-557010
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; As2 Cd1 F12 N12 O6 S18; As-Cd-F-N-O-S; ICSD-30745; electronic bandstructure
OSTI Identifier:
1269650
DOI:
10.17188/1269650

Citation Formats

Persson, Kristin. Materials Data on CdAs2S18N12(OF2)6 (SG:2) by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1269650.
Persson, Kristin. Materials Data on CdAs2S18N12(OF2)6 (SG:2) by Materials Project. United States. doi:10.17188/1269650.
Persson, Kristin. 2014. "Materials Data on CdAs2S18N12(OF2)6 (SG:2) by Materials Project". United States. doi:10.17188/1269650. https://www.osti.gov/servlets/purl/1269650. Pub date:Wed Jul 09 00:00:00 EDT 2014
@article{osti_1269650,
title = {Materials Data on CdAs2S18N12(OF2)6 (SG:2) by Materials Project},
author = {Persson, Kristin},
abstractNote = {Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations},
doi = {10.17188/1269650},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {7}
}

Dataset:

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