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Formula : Li
2
Sn
5
Space Group :
P4/mbm (127)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 10.274
b = 10.274
c = 3.125
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 152
Band gap = 0.0 eV
Direct Gap = 0.007 eV
Metallicity = 0.963
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 26200
Band structure with spin-orbit coupling