skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ba7Fe6CuF34 (SG:12) 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-553974
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; Ba7 Cu1 F34 Fe6; Ba-Cu-F-Fe; ICSD-202416; ICSD-203173; electronic bandstructure
OSTI Identifier:
1267668
DOI:
10.17188/1267668

Citation Formats

Persson, Kristin. Materials Data on Ba7Fe6CuF34 (SG:12) by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1267668.
Persson, Kristin. Materials Data on Ba7Fe6CuF34 (SG:12) by Materials Project. United States. doi:10.17188/1267668.
Persson, Kristin. 2014. "Materials Data on Ba7Fe6CuF34 (SG:12) by Materials Project". United States. doi:10.17188/1267668. https://www.osti.gov/servlets/purl/1267668. Pub date:Wed Jul 09 00:00:00 EDT 2014
@article{osti_1267668,
title = {Materials Data on Ba7Fe6CuF34 (SG:12) 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 = {10.17188/1267668},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {7}
}

Dataset:

Save / Share: