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Title: Materials Data on BaH2CSNClO (SG:62) 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-643643
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; Ba1 C1 Cl1 H2 N1 O1 S1; Ba-C-Cl-H-N-O-S; ICSD-82878
OSTI Identifier:
1280334
DOI:
10.17188/1280334

Citation Formats

Persson, Kristin. Materials Data on BaH2CSNClO (SG:62) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1280334.
Persson, Kristin. Materials Data on BaH2CSNClO (SG:62) by Materials Project. United States. doi:10.17188/1280334.
Persson, Kristin. 2016. "Materials Data on BaH2CSNClO (SG:62) by Materials Project". United States. doi:10.17188/1280334. https://www.osti.gov/servlets/purl/1280334. Pub date:Mon Mar 28 00:00:00 EDT 2016
@article{osti_1280334,
title = {Materials Data on BaH2CSNClO (SG:62) 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 = {10.17188/1280334},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {3}
}

Dataset:

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