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Formula : Ca
2
Ga
2
O
5
Space Group :
Ima2 (46)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 5.3525
b = 14.6666
c = 5.5651
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 18
Total number of electrons per primitive cell = 152
Band gap = 2.4015 eV
Direct Gap = 2.402 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 51545
Band structure with spin-orbit coupling