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Formula : Mn(BiSe
2
)
2
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 13.357
b = 4.073
c = 15.301
α = 90.0
β = 115.89
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 138
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.138
Topological Z2 indices ν = (0;110)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 603311
Band structure with spin-orbit coupling