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Formula : Sr
3
(GaAs
2
)
2
Space Group :
C2/c (15)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 13.497
b = 10.497
c = 6.7903
α = 90.0
β = 90.275
γ = 90.0
Number of atoms per primitive cell = 18
Total number of electrons per primitive cell = 152
Band gap = 0.6984 eV
Direct Gap = 0.809 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 423785
Band structure with spin-orbit coupling