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Formula : Ga
2
NiCl
8
Space Group :
C2/c (15)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 12.6848
b = 7.5774
c = 11.5434
α = 90.0
β = 91.778
γ = 90.0
Number of atoms per primitive cell = 22
Total number of electrons per primitive cell = 184
Band gap = 0.0 eV
Direct Gap = 0.002 eV
Metallicity = 0.192
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 417870
Band structure with spin-orbit coupling