Bulk Structures

Status
displaying 41 - 50 records in total 56
ThumbnailCompound FormulaName↓StatusEnergy (eV)Energy MethodSpace Group# Atoms# Surfaces
Chemical structure of Sodium chlorideNaClSodium chloridePublished225 (F m -3 m)80
Chemical structure of DiamondCDiamondPublished227 (F d -3 m)80
Chemical structure of SiliconSi8SiliconPublished227 (F d -3 m)80
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 Magnesium OxideMgOMagnesium OxidePublished225 (F m -3 m)80
Chemical structure of OZnOZnOZnPublished1 (P 1)40