displaying 51 - 56 records in
total 56
| Thumbnail | Compound Formula | ↑Name | Status | Energy (eV) | Energy Method | Space Group | # Atoms | # Surfaces |
|---|---|---|---|---|---|---|---|---|
| CaO | CaO | Best Calculated | -20237.960336 | Crystal - PBE + Dispersion (Light) | 225 (F m -3 m) | 8 | 0 | |
| CaO | CaO | Best Calculated | -20452.807335 | Crystal - PBE + Dispersion (Tight) | 225 (F m -3 m) | 8 | 0 | |
| CaO | CaO | Published | 225 (F m -3 m) | 8 | 1 | |||
| CaO | CaO | Best Calculated | -20237.424812 | 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 | |
| C2H8N4O2 | C2H8N4O2 | Best Calculated | -12037.38706 | Crystal - PBE (Light) | 113 (P -4 21 m) | 16 | 0 |