Bulk Structures

Status
displaying 51 - 56 records in total 56
ThumbnailCompound FormulaNameStatusEnergy (eV)Energy MethodSpace Group↑# Atoms# Surfaces
Chemical structure of Strontium TitanateSrTiO3Strontium TitanatePublished221 (P m -3 m)50
Chemical structure of Test_Strontium_TitanateO3SrTiTest_Strontium_TitanatePublished221 (P m -3 m)50
Chemical structure of OZnOZnOZnPublished1 (P 1)40
Chemical structure of NaFFNaNaFBest Calculated-7113.946361Crystal - PBE (Tight)225 (F m -3 m)40
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