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Formula : Sn
4
Rh
Space Group :
I4_1/acd (142)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 6.2839
b = 6.2839
c = 22.8139
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 292
Band gap = 0.0 eV
Direct Gap = 0.001 eV
Metallicity = 0.550
Topological Z2 indices ν = (1;111)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 174219
Band structure with spin-orbit coupling