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Formula : LiCa
2
Ge
3
Space Group :
Pnnm (58)
Centrosymmetric : True
Dimensionality : 1D
Structure parameters
a = 11.38
b = 10.73
c = 4.43
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 24
Total number of electrons per primitive cell = 140
Band gap = 0.0 eV
Direct Gap = 0.030 eV
Metallicity = 0.934
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 25323
Band structure with spin-orbit coupling