• Formula : CuTeO3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.214
    b = 9.108
    c = 5.965
    α = 90.0
    β = 95.06
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 140
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.099
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Dimorphism of hydrothermal synthesized copper tellurite Cu Te O3: The structure of a monoclinic representative,
    Journal of Solid State Chemistry 71, 291 (1987)

Band structure with spin-orbit coupling