• Formula : CuTeO4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.5
    b = 10.327
    c = 4.704
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 164
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.424
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Cu Te O4,
    Acta Crystallographica B (24,1968-38,1982) 34, 1450 (1978)

Band structure with spin-orbit coupling