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Title: Materials Data on Ba2Fe2S2OF2 (SG:139) 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

Publication Date:
Other Number(s):
mp-554327
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; Ba2 F2 Fe2 O1 S2; Ba-F-Fe-O-S; ICSD-249689
OSTI Identifier:
1267852
DOI:
https://doi.org/10.17188/1267852

Citation Formats

The Materials Project. Materials Data on Ba2Fe2S2OF2 (SG:139) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1267852.
The Materials Project. Materials Data on Ba2Fe2S2OF2 (SG:139) by Materials Project. United States. doi:https://doi.org/10.17188/1267852
The Materials Project. 2016. "Materials Data on Ba2Fe2S2OF2 (SG:139) by Materials Project". United States. doi:https://doi.org/10.17188/1267852. https://www.osti.gov/servlets/purl/1267852. Pub date:Sat Apr 23 00:00:00 EDT 2016
@article{osti_1267852,
title = {Materials Data on Ba2Fe2S2OF2 (SG:139) by Materials Project},
author = {The Materials Project},
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 = {10.17188/1267852},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {4}
}