Bulk Structures

Status
displaying 41 - 50 records in total 50
ThumbnailCompound FormulaName↓StatusEnergy (eV)Energy MethodSpace Group# Atoms# Surfaces
Chemical structure of CaOCaOCaOPublished225 (F m -3 m)81
Chemical structure of Strontium TitanateSrTiO3Strontium TitanatePublished221 (P m -3 m)50
Chemical structure of Rutile TiO2TiO2Rutile TiO2Published136 (P 42/m n m)60
Chemical structure of MgOMgOMgOPublished225 (F m -3 m)86
Chemical structure of UreaC2H8N4O2UreaPublished113 (P -4 21 m)160
Chemical structure of Test_Strontium_TitanateO3SrTiTest_Strontium_TitanatePublished221 (P m -3 m)50
Chemical structure of Wurtzite ZnOOZnWurtzite ZnOPublishedPBE186 (P 63 m c)40
Chemical structure of TB_deletedOZnTB_deletedPublishedIP GULP O-term 1Cu186 (P 63 m c)41
Chemical structure of Test_MgOMgOTest_MgOPublished225 (F m -3 m)80
Chemical structure of Lithium FluorideFLiLithium FluoridePublished225 (F m -3 m)80