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Formula : Sr
2
InSbO
6
Space Group :
P2_1/c (14)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 5.7301
b = 5.7306
c = 8.0963
α = 90.0
β = 89.82
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 148
Band gap = 2.0189 eV
Direct Gap = 2.019 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 154032
Band structure with spin-orbit coupling