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Title: Materials Data on Ba2CuF6 (SG:139) 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-554352
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; Ba2 Cu1 F6; Ba-Cu-F; ICSD-21055
OSTI Identifier:
1267864
DOI:
10.17188/1267864

Citation Formats

Persson, Kristin. Materials Data on Ba2CuF6 (SG:139) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1267864.
Persson, Kristin. Materials Data on Ba2CuF6 (SG:139) by Materials Project. United States. doi:10.17188/1267864.
Persson, Kristin. 2016. "Materials Data on Ba2CuF6 (SG:139) by Materials Project". United States. doi:10.17188/1267864. https://www.osti.gov/servlets/purl/1267864. Pub date:Tue Jul 19 00:00:00 EDT 2016
@article{osti_1267864,
title = {Materials Data on Ba2CuF6 (SG:139) 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 = {10.17188/1267864},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {7}
}

Dataset:

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