- Compound Formula
- NaCl
- Name
- Sodium chloride
- # Atoms
- 8
- Stoichiometry
- Unit Cell
- a
- 5.016
- b
- 5.016
- c
- 5.016
- alpha
- 90.0
- beta
- 90.0
- gamma
- 90.0
- Space Group
- 225 (F m -3 m)
- Energy (eV)
- -16716.012256
- Energy Method
- Crystal - PBE + Dispersion (Light)
- k-points
- [4, 4, 4]
- Status
- Calculated
- ID
- 5fba7009257ce61c9be29a5e
- Data Modified
- 24/11/2020 17:14:47
- Metadata Modified
- 24/11/2020 17:14:51
More Actions
Related Bulk Structures
| Thumbnail | Status | Energy (eV) | Energy Method | k-points |
|---|---|---|---|---|
| Published | ||||
| Calculated | -16716.000264 | Crystal - PBE + Dispersion (Light) | [3, 3, 3] | |
| Calculated | -16714.689239 | Crystal - PBE (Light) | [4, 4, 4] | |
| Best Calculated | -16716.013012 | Crystal - PBE + Dispersion (Light) | [5, 5, 5] | |
| Best Calculated | -16714.689375 | Crystal - PBE (Light) | [5, 5, 5] |