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Formula : Ag
2
GeS
3
Space Group :
Cmc2_1 (36)
Centrosymmetric : False
Dimensionality : 3D
Structure parameters
a = 11.791
b = 7.079
c = 6.344
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 88
Band gap = 0.1033 eV
Direct Gap = 0.103 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 41711
Band structure with spin-orbit coupling
Wannier charge center (WCC) at six time-reversal invariant planes