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Formula : Ag
2
CN
2
Space Group :
P2_1/c (14)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 7.3147
b = 6.0096
c = 6.6839
α = 90.0
β = 102.293
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 144
Band gap = 1.1872 eV
Direct Gap = 1.187 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 411091
Band structure with spin-orbit coupling