displaying 1 - 10 records in
total 56
| Thumbnail | Compound Formula | Name | Status | Energy (eV) | Energy Method | Space Group | ↑# Atoms | # Surfaces |
|---|---|---|---|---|---|---|---|---|
| C2H8N4O2 | Urea | Published | 113 (P -4 21 m) | 16 | 0 | |||
| C2H8N4O2 | C2H8N4O2 | Best Calculated | -12037.38706 | Crystal - PBE (Light) | 113 (P -4 21 m) | 16 | 0 | |
| C | Diamond | Best Calculated | -2049.060952 | Crystal - B3LYP + Dispersion (Light) | 227 (F d -3 m) | 12 | 0 | |
| C | Diamond | Best Calculated | -2048.47231 | Crystal - B3LYP (Light) | 227 (F d -3 m) | 12 | 0 | |
| C | Diamond | Best Calculated | -2064.284459 | Crystal - PBE + Dispersion (Tight) | 227 (F d -3 m) | 12 | 0 | |
| C | Diamond | Best Calculated | -2039.602416 | Crystal - PBE + Dispersion (Light) | 227 (F d -3 m) | 12 | 0 | |
| C | Diamond | Best Calculated | -2064.021997 | Crystal - PBE (Tight) | 227 (F d -3 m) | 12 | 0 | |
| C | Diamond | Best Calculated | -2039.351321 | Crystal - PBE (Light) | 227 (F d -3 m) | 12 | 0 | |
| Si8 | Silicon | Best Calculated | -15538.525393 | Crystal - PBE (Light) | 227 (F d -3 m) | 12 | 0 | |
| C8 | Carbon | Best Calculated | -2039.23878 | Crystal - PBE (Light) | 227 (F d -3 m) | 12 | 0 |