- Compound Formula
- MgO
- Bulk
- MgO
- Miller Index
- (100)
- Offset
- 1
- Surface Cut
- Standard cut
- # Atoms
- 48
- Size
- 2×2
- # Fixed Layers
- 0
- # Relaxed Layers
- 3
- # Periodic Boundary Conditions
- 3
- Vacuum Gap
- 10.0
- Space Group
- 1 (P 1)
- Energy (eV)
- -179355.806333
- Energy Method
- Crystal - PBE (Tight)
- k-points
- [3, 3, 3]
- Publication DOI
- Publication Details
- Status
- Best Calculated
- Probe Molecule
- ID
- 5ecfae8ba9919b081edeed7e
- Data Modified
- 29/05/2020 18:36:14
- Metadata Modified
- 29/05/2020 21:19:19
More Actions
Related Surfaces
| Thumbnail | Status | Probe Molecule | Energy (eV) | Energy Method | k-points | # Layers | # Atoms |
|---|
 | Calculated | | -179355.804458 | Crystal - PBE (Tight) | [2, 2, 2] | 0, 3 | 48 |