displaying 11 - 20 records in
total 50
| Thumbnail | Compound Formula | Name | ↑Status | Energy (eV) | Energy Method | Space Group | # Atoms | # Surfaces |
|---|---|---|---|---|---|---|---|---|
| OZn | TB_deleted | Published | IP GULP O-term 1Cu | 186 (P 63 m c) | 4 | 1 | ||
| MgO | Test_MgO | Published | 225 (F m -3 m) | 8 | 0 | |||
| FLi | Lithium Fluoride | Published | 225 (F m -3 m) | 8 | 0 | |||
| CaO | CaO | Best Calculated | -20273.396325 | Crystal - B3LYP + Dispersion (Light) | 225 (F m -3 m) | 8 | 0 | |
| CaO | CaO | Best Calculated | -20272.329368 | Crystal - B3LYP (Light) | 225 (F m -3 m) | 8 | 0 | |
| CaO | CaO | Best Calculated | -20488.464466 | Crystal - B3LYP + Dispersion (Tight) | 225 (F m -3 m) | 8 | 2 | |
| CaO | CaO | Best Calculated | -20487.371073 | Crystal - B3LYP (Tight) | 225 (F m -3 m) | 8 | 0 | |
| CaO | CaO | Best Calculated | -20237.424884 | 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 | |
| CaO | CaO | Best Calculated | -20237.960336 | Crystal - PBE + Dispersion (Light) | 225 (F m -3 m) | 8 | 0 |