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Formula : Li
3
Ni
2
SbO
6
Space Group :
C2/m (12)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 5.1828
b = 8.9678
c = 5.1578
α = 90.0
β = 109.695
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 = 0.005 eV
Metallicity = 0.390
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 183999
Band structure with spin-orbit coupling