displaying 21 - 30 records in
total 56
| Thumbnail | Compound Formula | ↑Name | Status | Energy (eV) | Energy Method | Space Group | # Atoms | # Surfaces |
|---|---|---|---|---|---|---|---|---|
| FNa | NaF | Published | 225 (F m -3 m) | 8 | 0 | |||
| MgO | MgO | Best Calculated | -7473.586308 | Crystal - PBE (Tight) | 225 (F m -3 m) | 8 | 0 | |
| MgO | MgO | Published | 225 (F m -3 m) | 8 | 6 | |||
| MgO | MgO | Best Calculated | -7474.085067 | Crystal - PBE + Dispersion (Tight) | 225 (F m -3 m) | 8 | 2 | |
| MgO | MgO | Best Calculated | -7378.156533 | Crystal - PBE (Light) | 225 (F m -3 m) | 8 | 0 | |
| MgO | MgO | Best Calculated | -7399.943251 | Crystal - B3LYP (Light) | 225 (F m -3 m) | 8 | 0 | |
| MgO | MgO | Best Calculated | -7496.784228 | Crystal - B3LYP + Dispersion (Tight) | 225 (F m -3 m) | 8 | 0 | |
| MgO | MgO | Best Calculated | -7401.026803 | Crystal - B3LYP + Dispersion (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 | |
| MgO | Magnesium Oxide | Published | 225 (F m -3 m) | 8 | 0 |