- Compound Formula
- CaO
- Name
- CaO
- # Atoms
- 8
- Stoichiometry
- Unit Cell
- a
- 4.8069
- b
- 4.8069
- c
- 4.8069
- alpha
- 90.0
- beta
- 90.0
- gamma
- 90.0
- Space Group
- 225 (F m -3 m)
- Energy (eV)
- -20237.404888
- Energy Method
- Crystal - PBE (Light)
- k-points
- [4, 4, 4]
- Status
- Calculated
- ID
- 5d78d319b9587dabd25d7058
- Data Modified
- 11/09/2019 11:00:37
- Metadata Modified
- 07/05/2020 16:39:58
More Actions
Related Bulk Structures
Thumbnail | Status | Energy (eV) | Energy Calculation | Energy Method | k-points |
| Calculated | -20237.291701 | N/A | Crystal - PBE (Light) | [3, 3, 3] |
| Best Calculated | -20452.260651 | N/A | Crystal - PBE (Tight) | [4, 4, 4] |
| Calculated | -20237.421437 | N/A | Crystal - PBE (Light) | [5, 5, 5] |
| Best Calculated | -20237.424812 | N/A | Crystal - PBE (Light) | [6, 6, 6] |