Bulk Structures

Status
displaying 21 - 30 records in total 56
ThumbnailCompound FormulaNameStatusEnergy (eV)Energy MethodSpace Group↓# Atoms# Surfaces
Chemical structure of SiliconSi8SiliconPublished227 (F d -3 m)80
Chemical structure of CaOCaOCaOPublished225 (F m -3 m)81
Chemical structure of MgOMgOMgOPublished225 (F m -3 m)86
Chemical structure of MgOMgOMgOBest Calculated-7474.085067Crystal - PBE + Dispersion (Tight)225 (F m -3 m)82
Chemical structure of CaOCaOCaOBest Calculated-20237.424812Crystal - PBE (Light)225 (F m -3 m)80
Chemical structure of Sodium chlorideNaClSodium chlorideBest Calculated-16714.689375Crystal - PBE (Light)225 (F m -3 m)80
Chemical structure of MgOMgOMgOBest Calculated-7378.156533Crystal - PBE (Light)225 (F m -3 m)80
Chemical structure of Magnesium OxideMgOMagnesium OxideBest Calculated-7473.585915Crystal - PBE (Tight)225 (F m -3 m)80
Chemical structure of Magnesium OxideMgOMagnesium OxidePublished225 (F m -3 m)80
Chemical structure of NaFFNaNaFPublished225 (F m -3 m)80