- Compound Formula
- MgO
- Bulk
- MgO
- Miller Index
- (100)
- Offset
- 1
- Surface Cut
- # Atoms
- 108
- Size
- 3×3
- # Fixed Layers
- 0
- # Relaxed Layers
- 3
- # Periodic Boundary Conditions
- 3
- Vacuum Gap
- 500.0
- Space Group
- 1 (P 1)
- Energy (eV)
- -403550.44
- Energy Method
- Crystal - PBE (Tight)
- k-points
- [4, 4, 4]
- Publication DOI
- Publication Details
- Status
- Published
- Probe Molecule
- ID
- 5ea803697b1bbc9a81593175
- Data Modified
- 07/05/2020 14:49:19
- Metadata Modified
- 27/07/2020 13:53:26