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Formula : K
2
Ga
3
Space Group :
I4/mmm (139)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 6.1382
b = 6.1382
c = 14.815
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 10
Total number of electrons per primitive cell = 114
Band gap = 0.2658 eV
Direct Gap = 0.382 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 160496
Band structure with spin-orbit coupling