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Formula : Sr
2
LiGe
3
Space Group :
Fmmm (69)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 8.7332
b = 8.9964
c = 15.045
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 12
Total number of electrons per primitive cell = 70
Band gap = 0.0 eV
Direct Gap = 0.008 eV
Metallicity = 0.514
Topological Z2 indices ν = (0;110)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 414574
Band structure with spin-orbit coupling