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Formula : Ag
2
S
Space Group :
P2_1/m (11)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 4.2
b = 6.86
c = 9.7
α = 90.0
β = 125.26
γ = 90.0
Number of atoms per primitive cell = 6
Total number of electrons per primitive cell = 56
Band gap = 0.0 eV
Direct Gap = 0.020 eV
Metallicity = 0.267
Topological Z2 indices ν = (1;001)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 98452
Band structure with spin-orbit coupling