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Title: Materials Data on K2Cr3(ClF3)2 (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-566683
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cl2 Cr3 F6 K2; Cl-Cr-F-K; ICSD-60897; electronic bandstructure
OSTI Identifier:
1273514
DOI:
https://doi.org/10.17188/1273514

Citation Formats

The Materials Project. Materials Data on K2Cr3(ClF3)2 (SG:14) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1273514.
The Materials Project. Materials Data on K2Cr3(ClF3)2 (SG:14) by Materials Project. United States. doi:https://doi.org/10.17188/1273514
The Materials Project. 2016. "Materials Data on K2Cr3(ClF3)2 (SG:14) by Materials Project". United States. doi:https://doi.org/10.17188/1273514. https://www.osti.gov/servlets/purl/1273514. Pub date:Thu Feb 04 00:00:00 EST 2016
@article{osti_1273514,
title = {Materials Data on K2Cr3(ClF3)2 (SG:14) by Materials Project},
author = {The 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 = {10.17188/1273514},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {2}
}