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Title: Materials Data on Ba5Cu4ClF17 (SG:189) 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-559141
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; Ba5 Cl1 Cu4 F17; Ba-Cl-Cu-F; ICSD-80169
OSTI Identifier:
1270694
DOI:
10.17188/1270694

Citation Formats

Persson, Kristin. Materials Data on Ba5Cu4ClF17 (SG:189) by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1270694.
Persson, Kristin. Materials Data on Ba5Cu4ClF17 (SG:189) by Materials Project. United States. doi:10.17188/1270694.
Persson, Kristin. 2014. "Materials Data on Ba5Cu4ClF17 (SG:189) by Materials Project". United States. doi:10.17188/1270694. https://www.osti.gov/servlets/purl/1270694. Pub date:Wed Jul 09 00:00:00 EDT 2014
@article{osti_1270694,
title = {Materials Data on Ba5Cu4ClF17 (SG:189) 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 = {10.17188/1270694},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {7}
}

Dataset:

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