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Formula : Ga
2
TeO
6
Space Group :
P4_2/mnm (136)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 4.5594
b = 4.5594
c = 8.97
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 18
Total number of electrons per primitive cell = 136
Band gap = 1.3627 eV
Direct Gap = 1.363 eV
Metallicity = 0.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 78346
Band structure with spin-orbit coupling