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Title: Materials Data on Ba3Tl2Cl2O5 (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-557692
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 Cl2 O5 Tl2; Ba-Cl-O-Tl; ICSD-82924; electronic bandstructure
OSTI Identifier:
1269959
DOI:
10.17188/1269959

Citation Formats

Persson, Kristin. Materials Data on Ba3Tl2Cl2O5 (SG:139) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1269959.
Persson, Kristin. Materials Data on Ba3Tl2Cl2O5 (SG:139) by Materials Project. United States. doi:10.17188/1269959.
Persson, Kristin. 2016. "Materials Data on Ba3Tl2Cl2O5 (SG:139) by Materials Project". United States. doi:10.17188/1269959. https://www.osti.gov/servlets/purl/1269959. Pub date:Wed Feb 10 00:00:00 EST 2016
@article{osti_1269959,
title = {Materials Data on Ba3Tl2Cl2O5 (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 = {10.17188/1269959},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {2}
}

Dataset:

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