MgO (100)

Compound Formula
MgO
Bulk
MgO
Miller Index
(100)
Offset
1
Surface Cut
Standard cut
# Atoms
48
Size
2×2
# Fixed Layers
0
# Relaxed Layers
3
# Periodic Boundary Conditions
3
Vacuum Gap
10.0
Space Group
1 (P 1)
Energy (eV)
-179355.804458
Energy Method
Crystal - PBE (Tight)
k-points
[2, 2, 2]
Publication DOI
Publication Details
Status
Calculated
Probe Molecule
ID
5ecfae8ba9919b081edeed7a
Data Modified
28/05/2020 15:07:22
Metadata Modified
29/05/2020 09:03:37

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Status
ThumbnailStatusProbe MoleculeEnergy (eV)Energy Methodk-points# Layers# Atoms
Chemical structure of MgO_100_0_3Best Calculated-179355.806333Crystal - PBE (Tight)[3, 3, 3]0, 348

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