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Title: Materials Data on CuH8C6(N3O)2 (SG:12) 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-583429
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; C6 Cu1 H8 N6 O2; C-Cu-H-N-O; ICSD-156682; electronic bandstructure
OSTI Identifier:
1272805
DOI:
10.17188/1272805

Citation Formats

Persson, Kristin. Materials Data on CuH8C6(N3O)2 (SG:12) by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1272805.
Persson, Kristin. Materials Data on CuH8C6(N3O)2 (SG:12) by Materials Project. United States. doi:10.17188/1272805.
Persson, Kristin. 2014. "Materials Data on CuH8C6(N3O)2 (SG:12) by Materials Project". United States. doi:10.17188/1272805. https://www.osti.gov/servlets/purl/1272805. Pub date:Wed Jul 09 00:00:00 EDT 2014
@article{osti_1272805,
title = {Materials Data on CuH8C6(N3O)2 (SG:12) 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 = {10.17188/1272805},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {7}
}

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