• Formula : CoTeMo
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.2432
    b = 5.052
    c = 8.8432
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 74
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.828
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Rietveld analysis of crystal structure of an additive telluromolybdate Co Te Mo O6,
    Journal of Molecular Catalysis 145, 301 (1999)

Band structure with spin-orbit coupling