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Formula : Sr
3
Sn
5
Space Group :
Cmcm (63)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 10.644
b = 8.588
c = 10.895
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 16
Total number of electrons per primitive cell = 200
Band gap = 0.0 eV
Direct Gap = 0.026 eV
Metallicity = 0.390
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 165183
Band structure with spin-orbit coupling