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Title: Materials Data on Ba3(YI6)2 (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):
mp-776579
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; Ba3 I12 Y2; Ba-I-Y; ; electronic bandstructure
OSTI Identifier:
1304315
DOI:
10.17188/1304315

Citation Formats

Persson, Kristin. Materials Data on Ba3(YI6)2 (SG:14) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1304315.
Persson, Kristin. Materials Data on Ba3(YI6)2 (SG:14) by Materials Project. United States. doi:10.17188/1304315.
Persson, Kristin. 2016. "Materials Data on Ba3(YI6)2 (SG:14) by Materials Project". United States. doi:10.17188/1304315. https://www.osti.gov/servlets/purl/1304315. Pub date:Thu Mar 31 00:00:00 EDT 2016
@article{osti_1304315,
title = {Materials Data on Ba3(YI6)2 (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 = {10.17188/1304315},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {3}
}

Dataset:

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