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Formula : In
6
Ge
2
PtO
9
Space Group :
Fm-3m (225)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 10.06
b = 10.06
c = 10.06
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 18
Total number of electrons per primitive cell = 150
Band gap = 1.6147 eV
Direct Gap = 1.767 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 170897
Band structure with spin-orbit coupling