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Materials Data on KCrH18N6(ClO2)4 (SG:148) by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1200714· OSTI ID:1200714
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:
1200714
Report Number(s):
mp-25514
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Cl-Cr-H-K-N-O
Cl4 Cr1 H18 K1 N6 O8
ICSD-87621
crystal structure
electronic bandstructure