displaying 31 - 40 records in
total 56
| Thumbnail | Compound Formula | Name | Status | Energy (eV) | Energy Method | Space Group | # Atoms | # Surfaces |
|---|---|---|---|---|---|---|---|---|
| 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 | |||
| OZn | OZn | Published | 1 (P 1) | 4 | 0 | |||
| FNa | NaF | Best Calculated | -7113.946361 | Crystal - PBE (Tight) | 225 (F m -3 m) | 4 | 0 | |
| FNa | NaF | Published | 225 (F m -3 m) | 8 | 0 | |||
| MgO | Test_MgO | Best Calculated | -7378.754336 | Crystal - PBE (Light) | 225 (F m -3 m) | 8 | 0 | |
| O3SrTi | Test_Strontium_Titanate | Published | 221 (P m -3 m) | 5 | 0 | |||
| OZn | Wurtzite ZnO | Published | PBE | 186 (P 63 m c) | 4 | 0 | ||
| OZn | TB_deleted | Published | IP GULP O-term 1Cu | 186 (P 63 m c) | 4 | 1 | ||
| MgO | Test_MgO | Best Calculated | -7473.584122 | Crystal - PBE (Tight) | 225 (F m -3 m) | 8 | 0 |