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Title: Materials Data on BaCaMoF7 (SG:14) 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):
mvc-10621
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 Ca1 F7 Mo1; Ba-Ca-F-Mo;
OSTI Identifier:
1317961
DOI:
10.17188/1317961

Citation Formats

Persson, Kristin. Materials Data on BaCaMoF7 (SG:14) by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1317961.
Persson, Kristin. Materials Data on BaCaMoF7 (SG:14) by Materials Project. United States. doi:10.17188/1317961.
Persson, Kristin. 2014. "Materials Data on BaCaMoF7 (SG:14) by Materials Project". United States. doi:10.17188/1317961. https://www.osti.gov/servlets/purl/1317961. Pub date:Tue Sep 30 00:00:00 EDT 2014
@article{osti_1317961,
title = {Materials Data on BaCaMoF7 (SG:14) 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 = {10.17188/1317961},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {9}
}

Dataset:

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