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Formula : K
2
Mn
3
S
4
Space Group :
P2/c (13)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 7.244
b = 5.822
c = 11.018
α = 90.0
β = 112.33
γ = 90.0
Number of atoms per primitive cell = 18
Total number of electrons per primitive cell = 174
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.660
Topological Z2 indices ν = (0;100)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 411172
Band structure with spin-orbit coupling