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Formula : Li
2
SnO
3
Space Group :
C2/c (15)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 5.29
b = 9.19
c = 10.03
α = 90.0
β = 100.1
γ = 90.0
Number of atoms per primitive cell = 24
Total number of electrons per primitive cell = 152
Band gap = 3.2923 eV
Direct Gap = 3.543 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 21053
Band structure with spin-orbit coupling