Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

Materials Data on Ba2Co2ClF7 (SG:11) by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1273721· OSTI ID:1273721
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
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1273721
Report Number(s):
mp-567145
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on AlCo3F15 (SG:11) by Materials Project
Dataset · Fri Sep 02 00:00:00 EDT 2016 · OSTI ID:1339691
Materials Data on Li3Cr4P2O8F9 (SG:11) by Materials Project
Dataset · Fri Apr 22 00:00:00 EDT 2016 · OSTI ID:1292849
Materials Data on Li3V4P2O8F9 (SG:11) by Materials Project
Dataset · Fri Apr 22 00:00:00 EDT 2016 · OSTI ID:1292919

Related Subjects

36 MATERIALS SCIENCE
Ba-Cl-Co-F
Ba2 Cl1 Co2 F7
ICSD-79479
crystal structure
electronic bandstructure