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
Materials Chemistry
Field
Materials Science
Domain
Physical Sciences
Confidence Score
83%
Source
Open Alex
Keywords
36 MATERIALS SCIENCEcrystal structureHg2 Mn2 O7Hg-Mn-Oelectronic bandstructure