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Title: Materials Data on AsH12C4I3 (SG:84) 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-707477
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; As1 C4 H12 I3; As-C-H-I; ICSD-77516; electronic bandstructure
OSTI Identifier:
1286424
DOI:
10.17188/1286424

Citation Formats

Persson, Kristin. Materials Data on AsH12C4I3 (SG:84) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1286424.
Persson, Kristin. Materials Data on AsH12C4I3 (SG:84) by Materials Project. United States. doi:10.17188/1286424.
Persson, Kristin. 2016. "Materials Data on AsH12C4I3 (SG:84) by Materials Project". United States. doi:10.17188/1286424. https://www.osti.gov/servlets/purl/1286424. Pub date:Thu Feb 04 00:00:00 EST 2016
@article{osti_1286424,
title = {Materials Data on AsH12C4I3 (SG:84) 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 = {10.17188/1286424},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {2}
}

Dataset:

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