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Title: Materials Data on BaCuCO3F2 (SG:57) 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-556030
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; Ba1 C1 Cu1 F2 O3; Ba-C-Cu-F-O; ICSD-79864; electronic bandstructure
OSTI Identifier:
1269126
DOI:
10.17188/1269126

Citation Formats

Persson, Kristin. Materials Data on BaCuCO3F2 (SG:57) by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1269126.
Persson, Kristin. Materials Data on BaCuCO3F2 (SG:57) by Materials Project. United States. doi:10.17188/1269126.
Persson, Kristin. 2014. "Materials Data on BaCuCO3F2 (SG:57) by Materials Project". United States. doi:10.17188/1269126. https://www.osti.gov/servlets/purl/1269126. Pub date:Wed Jul 09 00:00:00 EDT 2014
@article{osti_1269126,
title = {Materials Data on BaCuCO3F2 (SG:57) 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 = {10.17188/1269126},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {7}
}

Dataset:

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