- Compound Formula
- CaO
- Name
- CaO
- # Atoms
- 8
- Stoichiometry
- Unit Cell
- a
- 4.807
- b
- 4.807
- c
- 4.807
- alpha
- 90.0
- beta
- 90.0
- gamma
- 90.0
- Space Group
- 225 (F m -3 m)
- Energy (eV)
- -20237.291701
- Energy Method
- Crystal - PBE (Light)
- k-points
- [3, 3, 3]
- Status
- Calculated
- ID
- 5d78d319b9587dabd25d7056
- Data Modified
- 11/09/2019 10:58:35
- Metadata Modified
- 07/05/2020 16:39:58
More Actions
Related Bulk Structures
| Thumbnail | Status | Energy (eV) | Energy Method | k-points |
|---|
 | Calculated | -20237.404888 | Crystal - PBE (Light) | [4, 4, 4] |
 | Best Calculated | -20452.260651 | Crystal - PBE (Tight) | [4, 4, 4] |
 | Calculated | -20237.421437 | Crystal - PBE (Light) | [5, 5, 5] |
 | Best Calculated | -20237.424812 | Crystal - PBE (Light) | [6, 6, 6] |