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Title: Materials Data on As3H12C4S5N (SG:2) 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-759553
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; As3 C4 H12 N1 S5; As-C-H-N-S; ICSD-407152
OSTI Identifier:
1291444
DOI:
10.17188/1291444

Citation Formats

Persson, Kristin. Materials Data on As3H12C4S5N (SG:2) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1291444.
Persson, Kristin. Materials Data on As3H12C4S5N (SG:2) by Materials Project. United States. doi:10.17188/1291444.
Persson, Kristin. 2016. "Materials Data on As3H12C4S5N (SG:2) by Materials Project". United States. doi:10.17188/1291444. https://www.osti.gov/servlets/purl/1291444. Pub date:Thu Feb 04 00:00:00 EST 2016
@article{osti_1291444,
title = {Materials Data on As3H12C4S5N (SG:2) 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 = {10.17188/1291444},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {2}
}

Dataset:

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