Title: Materials Data on CaFeF5 (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

Publication Date:
Other Number(s):
mp-557182
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Ca-F-Fe; Ca1 F5 Fe1; crystal structure; electronic bandstructure; ICSD-412862
OSTI Identifier:
1269731
DOI:
https://doi.org/10.17188/1269731

Citation Formats

Materials Data on CaFeF5 (SG:14) by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1269731.
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Materials Data on CaFeF5 (SG:14) by Materials Project. United States. doi:https://doi.org/10.17188/1269731
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2014. "Materials Data on CaFeF5 (SG:14) by Materials Project". United States. doi:https://doi.org/10.17188/1269731. https://www.osti.gov/servlets/purl/1269731. Pub date:Tue Jul 08 20:00:00 EDT 2014
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@article{osti_1269731,
title = {Materials Data on CaFeF5 (SG:14) by Materials Project},
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 = {10.17188/1269731},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {7}
}
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DOI: https://doi.org/10.17188/1269731
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