displaying 1 - 10 records in
total 56
| Thumbnail | Compound Formula | ↑Name | Status | Energy (eV) | Energy Method | Space Group | # Atoms | # Surfaces |
|---|---|---|---|---|---|---|---|---|
| OZn | Wurtzite ZnO | Published | PBE | 186 (P 63 m c) | 4 | 0 | ||
| C2H8N4O2 | Urea | Published | 113 (P -4 21 m) | 16 | 0 | |||
| O3SrTi | Test_Strontium_Titanate | Published | 221 (P m -3 m) | 5 | 0 | |||
| MgO | Test_MgO_take2 | Best Calculated | -7378.753679 | Crystal - PBE (Light) | 225 (F m -3 m) | 8 | 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 | Published | 225 (F m -3 m) | 8 | 0 | |||
| OZn | TB_deleted | Published | IP GULP O-term 1Cu | 186 (P 63 m c) | 4 | 1 |