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
50%
Source
Scholar Data Model
Keywords
36 MATERIALS SCIENCEcrystal structureAs2 Co1 Fe2 H10 O14As-Co-Fe-H-OICSD-152223electronic bandstructure