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Title: Materials Data on Ba3As2H14S8O7 (SG:14) 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-722774
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 Ba3 H14 O7 S8; As-Ba-H-O-S; ICSD-66703; electronic bandstructure
OSTI Identifier:
1287508
DOI:
10.17188/1287508

Citation Formats

Persson, Kristin. Materials Data on Ba3As2H14S8O7 (SG:14) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1287508.
Persson, Kristin. Materials Data on Ba3As2H14S8O7 (SG:14) by Materials Project. United States. doi:10.17188/1287508.
Persson, Kristin. 2016. "Materials Data on Ba3As2H14S8O7 (SG:14) by Materials Project". United States. doi:10.17188/1287508. https://www.osti.gov/servlets/purl/1287508. Pub date:Thu Feb 04 00:00:00 EST 2016
@article{osti_1287508,
title = {Materials Data on Ba3As2H14S8O7 (SG:14) 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 = {10.17188/1287508},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {2}
}

Dataset:

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