displaying 1 - 10 records in
total 56
| Thumbnail | Compound Formula | Name | Status | Energy (eV) | Energy Method | Space Group | ↓# Atoms | # Surfaces |
|---|---|---|---|---|---|---|---|---|
| OZn | OZn | Published | 1 (P 1) | 4 | 0 | |||
| FNa | NaF | Best Calculated | -7113.946361 | Crystal - PBE (Tight) | 225 (F m -3 m) | 4 | 0 | |
| OZn | Wurtzite ZnO | Published | PBE | 186 (P 63 m c) | 4 | 0 | ||
| OZn | TB_deleted | Published | IP GULP O-term 1Cu | 186 (P 63 m c) | 4 | 1 | ||
| SrTiO3 | Strontium Titanate | Published | 221 (P m -3 m) | 5 | 0 | |||
| O3SrTi | Test_Strontium_Titanate | Published | 221 (P m -3 m) | 5 | 0 | |||
| TiO2 | Rutile TiO2 | Published | 136 (P 42/m n m) | 6 | 0 | |||
| TiO2 | Rutile TiO2 | Best Calculated | -54339.177116 | Crystal - PBE (Tight) | 136 (P 42/m n m) | 6 | 0 | |
| MgO | MgO | Best Calculated | -7473.586308 | Crystal - PBE (Tight) | 225 (F m -3 m) | 8 | 0 | |
| NaCl | Sodium chloride | Best Calculated | -16716.013012 | Crystal - PBE + Dispersion (Light) | 225 (F m -3 m) | 8 | 0 |