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Formula : Ga
2
O
3
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 12.208
b = 3.031
c = 5.751
α = 90.0
β = 103.63
γ = 90.0
Number of atoms per primitive cell = 10
Total number of electrons per primitive cell = 88
Band gap = 2.4727 eV
Direct Gap = 2.475 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 166198
Band structure with spin-orbit coupling