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Title: Materials Data on H8AuC2S2N4ClO4 (SG:54) 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-721059
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; Au1 C2 Cl1 H8 N4 O4 S2; Au-C-Cl-H-N-O-S; ICSD-68983
OSTI Identifier:
1287301
DOI:
10.17188/1287301

Citation Formats

Persson, Kristin. Materials Data on H8AuC2S2N4ClO4 (SG:54) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1287301.
Persson, Kristin. Materials Data on H8AuC2S2N4ClO4 (SG:54) by Materials Project. United States. doi:10.17188/1287301.
Persson, Kristin. 2016. "Materials Data on H8AuC2S2N4ClO4 (SG:54) by Materials Project". United States. doi:10.17188/1287301. https://www.osti.gov/servlets/purl/1287301. Pub date:Mon Mar 28 00:00:00 EDT 2016
@article{osti_1287301,
title = {Materials Data on H8AuC2S2N4ClO4 (SG:54) 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 = {10.17188/1287301},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {3}
}

Dataset:

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