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Title: Materials Data on Ti2H2CSe4Cl16O5 (SG:13) 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-693432
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; C1 Cl16 H2 O5 Se4 Ti2; C-Cl-H-O-Se-Ti;
OSTI Identifier:
1284649
DOI:
10.17188/1284649

Citation Formats

Persson, Kristin. Materials Data on Ti2H2CSe4Cl16O5 (SG:13) by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1284649.
Persson, Kristin. Materials Data on Ti2H2CSe4Cl16O5 (SG:13) by Materials Project. United States. doi:10.17188/1284649.
Persson, Kristin. 2014. "Materials Data on Ti2H2CSe4Cl16O5 (SG:13) by Materials Project". United States. doi:10.17188/1284649. https://www.osti.gov/servlets/purl/1284649. Pub date:Wed Jul 09 00:00:00 EDT 2014
@article{osti_1284649,
title = {Materials Data on Ti2H2CSe4Cl16O5 (SG:13) 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 = {10.17188/1284649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {7}
}

Dataset:

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