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Materials Data on CoP2H18(NF2)6 (SG:1) by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1288016· OSTI ID:1288016
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:
1288016
Report Number(s):
mp-743593
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Co-F-H-N-P
Co1 F12 H18 N6 P2
crystal structure
electronic bandstructure