displaying 21 - 30 records in
total 56
| Thumbnail | Compound Formula | Name | Status | Energy (eV) | Energy Method | Space Group | ↑# Atoms | # Surfaces |
|---|---|---|---|---|---|---|---|---|
| CaO | CaO | Best Calculated | -20452.807335 | Crystal - PBE + Dispersion (Tight) | 225 (F m -3 m) | 8 | 0 | |
| C | Diamond | Published | 227 (F d -3 m) | 8 | 0 | |||
| Si8 | Silicon | Published | 227 (F d -3 m) | 8 | 0 | |||
| CaO | CaO | Published | 225 (F m -3 m) | 8 | 1 | |||
| 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 | |
| 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 | |
| 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 |