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Formula : Sr
2
SnO
4
Space Group :
Cmce (64)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 5.72395
b = 5.74073
c = 12.62308
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 116
Band gap = 2.9875 eV
Direct Gap = 3.009 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 150385
Band structure with spin-orbit coupling