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Formula : CaMnSn
Space Group :
P4/nmm (129)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 4.4839
b = 4.4839
c = 7.4988
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 6
Total number of electrons per primitive cell = 78
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.845
Topological Z2 indices ν = (0;001)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 66950
Band structure with spin-orbit coupling