MgO

Compound Formula
MgO
Name
Test_MgO_take2
# Atoms
8
Stoichiometry
1:1
Unit Cell
a
3.9542
b
3.9542
c
3.9542
alpha
90.0
beta
90.0
gamma
90.0
Space Group
225 (F m -3 m)
Energy (eV)
-7378.73547
Energy Method
Crystal - PBE (Light)
k-points
[4, 4, 4]
Status
Calculated
ID
5f575618b9599719105502f7
Data Modified
08/09/2020 10:01:56
Metadata Modified
08/09/2020 10:01:58

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Related Bulk Structures

Status
ThumbnailStatusEnergy (eV)Energy Methodk-points
Chemical structure of Test_MgO_take2Calculated-7378.751005Crystal - PBE (Light)[5, 5, 5]
Chemical structure of Test_MgO_take2Best Calculated-7378.753679Crystal - PBE (Light)[6, 6, 6]