- 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)
- -179355.804458
- Energy Method
- Crystal - PBE (Tight)
- k-points
- [2, 2, 2]
- Publication DOI
- Publication Details
- Status
- Calculated
- Probe Molecule
- ID
- 5ecfae8ba9919b081edeed7a
- Data Modified
- 28/05/2020 15:07:22
- Metadata Modified
- 29/05/2020 09:03:37
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