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Formula : Ga
2
PdI
8
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 13.631
b = 8.499
c = 7.566
α = 90.0
β = 95.38
γ = 90.0
Number of atoms per primitive cell = 11
Total number of electrons per primitive cell = 100
Band gap = 1.1575 eV
Direct Gap = 1.304 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 413230
Band structure with spin-orbit coupling