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Title: Materials Data on H3CSN(ClO)2 (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-558736
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; C1 Cl2 H3 N1 O2 S1; C-Cl-H-N-O-S; ICSD-151036
OSTI Identifier:
1268554
DOI:
10.17188/1268554

Citation Formats

Persson, Kristin. Materials Data on H3CSN(ClO)2 (SG:62) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1268554.
Persson, Kristin. Materials Data on H3CSN(ClO)2 (SG:62) by Materials Project. United States. doi:10.17188/1268554.
Persson, Kristin. 2016. "Materials Data on H3CSN(ClO)2 (SG:62) by Materials Project". United States. doi:10.17188/1268554. https://www.osti.gov/servlets/purl/1268554. Pub date:Mon Mar 28 00:00:00 EDT 2016
@article{osti_1268554,
title = {Materials Data on H3CSN(ClO)2 (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 = {10.17188/1268554},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {3}
}

Dataset:

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