Materials Data on BaVCu4P4O17 (SG:90) by Materials Project

Dataset · Fri Apr 22 00:00:00 EDT 2016

DOI:https://doi.org/10.17188/1273135· OSTI ID:1273135

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: 1273135
• Report Number(s): mp-565705
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ba-Cu-O-P-V
Ba1 Cu4 O17 P4 V1
ICSD-406667
crystal structure