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Title: Materials Data on CsTi(NbCl3)6 (SG:163) 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-778180
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; Cl18 Cs1 Nb6 Ti1; Cl-Cs-Nb-Ti;
OSTI Identifier:
1305467
DOI:
10.17188/1305467

Citation Formats

Persson, Kristin. Materials Data on CsTi(NbCl3)6 (SG:163) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1305467.
Persson, Kristin. Materials Data on CsTi(NbCl3)6 (SG:163) by Materials Project. United States. doi:10.17188/1305467.
Persson, Kristin. 2016. "Materials Data on CsTi(NbCl3)6 (SG:163) by Materials Project". United States. doi:10.17188/1305467. https://www.osti.gov/servlets/purl/1305467. Pub date:Fri Apr 22 00:00:00 EDT 2016
@article{osti_1305467,
title = {Materials Data on CsTi(NbCl3)6 (SG:163) 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 = {10.17188/1305467},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {4}
}

Dataset:

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