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Title: Materials Data on H4NClO2 (SG:113) 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-696666
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; Cl1 H4 N1 O2; Cl-H-N-O; ICSD-59921; ICSD-26511; electronic bandstructure
OSTI Identifier:
1285027
DOI:
10.17188/1285027

Citation Formats

Persson, Kristin. Materials Data on H4NClO2 (SG:113) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1285027.
Persson, Kristin. Materials Data on H4NClO2 (SG:113) by Materials Project. United States. doi:10.17188/1285027.
Persson, Kristin. 2016. "Materials Data on H4NClO2 (SG:113) by Materials Project". United States. doi:10.17188/1285027. https://www.osti.gov/servlets/purl/1285027. Pub date:Fri Feb 05 00:00:00 EST 2016
@article{osti_1285027,
title = {Materials Data on H4NClO2 (SG:113) 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 = {10.17188/1285027},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {2}
}

Dataset:

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