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Formula : K
2
HgS
4
Space Group :
C2/c (15)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 11.04
b = 9.22
c = 13.18
α = 90.0
β = 106.5
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 108
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.573
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 20757
Band structure with spin-orbit coupling