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Formula : Fe
3
Sn
2
Space Group :
R-3m (166)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 5.344
b = 5.344
c = 19.845
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 10
Total number of electrons per primitive cell = 104
Band gap = 0.0 eV
Direct Gap = 0.001 eV
Metallicity = 0.459
Topological Z2 indices ν = (1;111)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 71
Band structure with spin-orbit coupling