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Formula : Sr
2
GeS
4
Space Group :
P2_1/m (11)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 8.231
b = 6.729
c = 6.672
α = 90.0
β = 108.21
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 96
Band gap = 2.4357 eV
Direct Gap = 2.493 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 23420
Band structure with spin-orbit coupling