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Title: Materials Data on BaPaO3 (SG:221) 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-8557
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 O3 Pa1; Ba-O-Pa; ICSD-61315; electronic bandstructure
OSTI Identifier:
1272828
DOI:
10.17188/1272828

Citation Formats

Persson, Kristin. Materials Data on BaPaO3 (SG:221) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1272828.
Persson, Kristin. Materials Data on BaPaO3 (SG:221) by Materials Project. United States. doi:10.17188/1272828.
Persson, Kristin. 2016. "Materials Data on BaPaO3 (SG:221) by Materials Project". United States. doi:10.17188/1272828. https://www.osti.gov/servlets/purl/1272828. Pub date:Wed Mar 23 00:00:00 EDT 2016
@article{osti_1272828,
title = {Materials Data on BaPaO3 (SG:221) 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 = {10.17188/1272828},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {3}
}

Dataset:

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