- Compound Formula
- MgO
- Name
- Test_MgO
- # Atoms
- 8
- Stoichiometry
- 1:1
- Unit Cell
- a
- 4.1628
- b
- 4.1628
- c
- 4.1628
- alpha
- 90.0
- beta
- 90.0
- gamma
- 90.0
- Space Group
- 225 (F m -3 m)
- Energy (eV)
- -7496.740572
- Energy Method
- Crystal - B3LYP + Dispersion (Tight)
- k-points
- [4, 4, 4]
- Status
- Calculated
- ID
- 5f58a185401fd9eb4c5aaf0c
- Data Modified
- 09/09/2020 09:37:01
- Metadata Modified
- 09/09/2020 09:37:04