• Formula : CoCuP2O7
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.912
    b = 6.658
    c = 6.315
    α = 109.06
    β = 132.91
    γ = 38.62
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 80
  • Band gap = 0.0 eV
    Direct Gap = 0.032 eV
    Metallicity = 0.545
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 75379

Band structure with spin-orbit coupling