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Formula : CoTeO
3
Space Group :
Pnma (62)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 6.0169
b = 7.5147
c = 5.3266
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 164
Band gap = 0.0 eV
Direct Gap = 0.000 eV
Metallicity = 0.568
Topological Z2 indices ν = (0;110)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 500
Band structure with spin-orbit coupling