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Formula : K
3
Sb
Space Group :
Fm-3m (225)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 8.493
b = 8.493
c = 8.493
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 4
Total number of electrons per primitive cell = 32
Band gap = 0.6121 eV
Direct Gap = 0.612 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 641351
Band structure with spin-orbit coupling