• Formula : ZnCoPHO5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.2458
    b = 5.5823
    c = 7.3586
    α = 94.717
    β = 100.036
    γ = 92.601
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 130
  • Band gap = 0.0 eV
    Direct Gap = 0.018 eV
    Metallicity = 0.624
    Topological Z2 indices ν = (0;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 416823

Band structure with spin-orbit coupling