MgO (100)

Compound Formula
MgO
Bulk
Magnesium Oxide
Miller Index
(100)
Offset
1
Surface Cut
Standard cut
# Atoms
108
Size
3×3
# Fixed Layers
0
# Relaxed Layers
3
# Periodic Boundary Conditions
3
Vacuum Gap
10.0
Space Group
1 (P 1)
Energy (eV)
-403550.580779
Energy Method
Crystal - PBE (Tight)
k-points
[4, 4, 4]
Publication DOI
Publication Details
Status
Best Calculated
Probe Molecule
ID
5fbe76f855b80f74f80d0cd5
Data Modified
26/11/2020 02:50:51
Metadata Modified
26/11/2020 15:02:42

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