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Formula : SrGeO
3
Space Group :
P-62m (189)
Centrosymmetric : False
Dimensionality : 1D
Structure parameters
a = 7.29
b = 7.29
c = 5.33
α = 90.0
β = 90.0
γ = 120.0
Number of atoms per primitive cell = 15
Total number of electrons per primitive cell = 96
Band gap = 1.7626 eV
Direct Gap = 1.776 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 28603
Band structure with spin-orbit coupling