Description
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
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Publication Details
DOI
Publisher
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Subfield
Inorganic Chemistry
Field
Chemistry
Domain
Physical Sciences
Confidence Score
54%
Source
Scholar Data Model
Keywords
36 MATERIALS SCIENCEcrystal structureB12 H19 K1 Mg2 O30B-H-K-Mg-OICSD-34008electronic bandstructure