displaying 21 - 30 records in
total 56
| Thumbnail | Compound Formula | Name | ↓Status | Energy (eV) | Energy Method | Space Group | # Atoms | # Surfaces |
|---|---|---|---|---|---|---|---|---|
| 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 | |
| MgO | Magnesium Oxide | Best Calculated | -7473.585915 | Crystal - PBE (Tight) | 225 (F m -3 m) | 8 | 0 | |
| FNa | NaF | Best Calculated | -7113.946361 | Crystal - PBE (Tight) | 225 (F m -3 m) | 4 | 0 | |
| MgO | Test_MgO | Best Calculated | -7378.754336 | Crystal - PBE (Light) | 225 (F m -3 m) | 8 | 0 | |
| MgO | Test_MgO | Best Calculated | -7473.584122 | Crystal - PBE (Tight) | 225 (F m -3 m) | 8 | 0 | |
| MgO | Test_MgO | Best Calculated | -7496.749285 | Crystal - B3LYP + Dispersion (Tight) | 225 (F m -3 m) | 8 | 0 | |
| MgO | Test_MgO | Best Calculated | -7495.655698 | Crystal - B3LYP (Tight) | 225 (F m -3 m) | 8 | 0 | |
| MgO | Test_MgO_take2 | Best Calculated | -7378.753679 | Crystal - PBE (Light) | 225 (F m -3 m) | 8 | 0 | |
| CaO | CaO | Best Calculated | -20452.260651 | Crystal - PBE (Tight) | 225 (F m -3 m) | 8 | 0 |