displaying 21 - 30 records in
total 56
| Thumbnail | Compound Formula | Name | Status | Energy (eV) | Energy Method | Space Group | # Atoms | # Surfaces |
|---|---|---|---|---|---|---|---|---|
| SrTiO3 | Strontium Titanate | Published | 221 (P m -3 m) | 5 | 0 | |||
| TiO2 | Rutile TiO2 | Published | 136 (P 42/m n m) | 6 | 0 | |||
| MgO | MgO | Published | 225 (F m -3 m) | 8 | 6 | |||
| C2H8N4O2 | Urea | Published | 113 (P -4 21 m) | 16 | 0 | |||
| MgO | MgO | Best Calculated | -7474.085067 | Crystal - PBE + Dispersion (Tight) | 225 (F m -3 m) | 8 | 2 | |
| TiO2 | Rutile TiO2 | Best Calculated | -54339.177116 | Crystal - PBE (Tight) | 136 (P 42/m n m) | 6 | 0 | |
| CaO | CaO | Best Calculated | -20237.424812 | Crystal - PBE (Light) | 225 (F m -3 m) | 8 | 0 | |
| NaCl | Sodium chloride | Best Calculated | -16714.689375 | Crystal - PBE (Light) | 225 (F m -3 m) | 8 | 0 | |
| Si8 | Silicon | Best Calculated | -15538.525393 | Crystal - PBE (Light) | 227 (F d -3 m) | 12 | 0 | |
| MgO | MgO | Best Calculated | -7378.156533 | Crystal - PBE (Light) | 225 (F m -3 m) | 8 | 0 |