Materials Data on Ti4Fe(PO4)6 (SG:155) by Materials Project

Dataset · Wed Jul 09 00:00:00 EDT 2014

DOI:https://doi.org/10.17188/1273218· OSTI ID:1273218

The Materials Project

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: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1273218
• Report Number(s): mp-565930
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Fe1 O24 P6 Ti4
Fe-O-P-Ti
ICSD-419511
electronic bandstructure