Title: Materials Data on CrH18C5(NO)4 (SG:198) 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

Publication Date:
Other Number(s):
mp-868120
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; C-Cr-H-N-O; C5 Cr1 H18 N4 O4; crystal structure; electronic bandstructure; ICSD-110041
OSTI Identifier:
1312339
DOI:
https://doi.org/10.17188/1312339

Citation Formats

Materials Data on CrH18C5(NO)4 (SG:198) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1312339.
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Materials Data on CrH18C5(NO)4 (SG:198) by Materials Project. United States. doi:https://doi.org/10.17188/1312339
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2016. "Materials Data on CrH18C5(NO)4 (SG:198) by Materials Project". United States. doi:https://doi.org/10.17188/1312339. https://www.osti.gov/servlets/purl/1312339. Pub date:Thu Apr 21 20:00:00 EDT 2016
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@article{osti_1312339,
title = {Materials Data on CrH18C5(NO)4 (SG:198) by Materials Project},
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 = {10.17188/1312339},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {4}
}
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DOI: https://doi.org/10.17188/1312339
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