• Formula : Co2P2O7
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.524
    b = 8.526
    c = 6.64
    α = 90.0
    β = 102.59
    γ = 90.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 86
  • Band gap = 0.0 eV
    Direct Gap = 0.010 eV
    Metallicity = 0.460
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    \b-Dicobalt pyrophosphate,
    Acta Crystallographica Section C 50, 482 (1994)

Band structure with spin-orbit coupling