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Electronic Structure Database (ESDb)




Material_IDNameFormulaUnitMorphologyUserMaterialTypeMagneticOrderingSpaceGroupNumberBandGapBandGapTypeBandGapMethod
1Iron PyriteFeS2Bulkglopezcasemiconductordiamagnetic2050.62indirectGGA
21T-Vanadium DiselenideVSe2Bulkglopezcametalferromagnetic164GGA
31T-Molybendum DisulfideMoS2Monolayerglopezcasemiconductor1642.64directGW
4Strontium TitanateSrTiO3Bulkglopezcasemiconductor2211.87indirectGGA
5Iron DisulfideFeS2Bulkglopezcasemiconductordiamagnetic2050.68indirectGGA+U
6alpha-Lead OxidePbOBulkglopezcasemiconductor1291.25indirectGGA
7Magnesium OxideMgOBulkglopezcainsulator2257.9directGW
8Zinc OxideZnOBulkglopezcasemiconductor1863.56directGW
9Tin SelenideSnSeBulkglopezcasemiconductor620.83indirectGW
10Methylammonium Mix Tri-IodideCH3NH3PbI3Bulkglopezcasemiconductor221GW
11Zinc OxideZnOBulkglopezcasemiconductor1863.6directGW

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