- Compound Formula
- CaO
- Name
- CaO
- # Atoms
- 8
- Stoichiometry
- Unit Cell
- a
- 4.7775
- b
- 4.7775
- c
- 4.7775
- alpha
- 90.0
- beta
- 90.0
- gamma
- 90.0
- Space Group
- 225 (F m -3 m)
- Energy (eV)
- -20452.260651
- Energy Method
- Crystal - PBE (Tight)
- k-points
- [4, 4, 4]
- Status
- Best Calculated
- ID
- 5e6297592d184110e3df9b57
- Data Modified
- 06/03/2020 18:35:01
- Metadata Modified
- 07/05/2020 16:39:59
More Actions
Related Bulk Structures
| Thumbnail | Status | Energy (eV) | Energy Method | k-points |
|---|
 | Calculated | -20237.291701 | Crystal - PBE (Light) | [3, 3, 3] |
 | Calculated | -20237.404888 | Crystal - PBE (Light) | [4, 4, 4] |
 | Calculated | -20237.421437 | Crystal - PBE (Light) | [5, 5, 5] |
 | Best Calculated | -20237.424812 | Crystal - PBE (Light) | [6, 6, 6] |