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Formula : Na
2
TiGeO
5
Space Group :
P4/nmm (129)
Centrosymmetric : True
Dimensionality : 2D
Structure parameters
a = 6.658
b = 6.658
c = 5.161
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 18
Total number of electrons per primitive cell = 128
Band gap = 3.3762 eV
Direct Gap = 3.552 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 91546
Band structure with spin-orbit coupling