- Compound Formula
- MgO
- Name
- Magnesium Oxide
- # Atoms
- 8
- Stoichiometry
- 1:1
- Unit Cell
- a
- 4.21041
- b
- 4.21041
- c
- 4.21041
- alpha
- 90.0
- beta
- 90.0
- gamma
- 90.0
- Space Group
- 225 (F m -3 m)
- Energy (eV)
- Energy Method
- k-points
- Status
- Published
- ID
- 5fbe74c355b80f74f80d0caa
- Data Modified
- 25/11/2020 15:14:44
- Metadata Modified
- 25/11/2020 15:17:13
More Actions
Related Bulk Structures
Thumbnail | Status | Energy (eV) | Energy Calculation | Energy Method | k-points |
| Calculated | -7473.573127 | N/A | Crystal - PBE (Tight) | [4, 4, 4] |
| Calculated | -7473.584122 | N/A | Crystal - PBE (Tight) | [5, 5, 5] |
| Best Calculated | -7473.585915 | N/A | Crystal - PBE (Tight) | [6, 6, 6] |