• Formula : CoMoO4
  • Space Group : P2/c (13)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.6598
    b = 5.6862
    c = 4.9159
    α = 90.0
    β = 90.521
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 110
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.788
    Topological Z2 indices ν = (1;100)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Solution process for the synthesis of the “high-pressure” phase CoMoO4 and X-ray single crystal resolution,
    Journal of Materials Chemistry 12, 1423 (2002)

Band structure with spin-orbit coupling