• Formula : CuAsPbO4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.832
    b = 5.837
    c = 7.995
    α = 78.68
    β = 74.95
    γ = 84.04
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 108
  • Band gap = 1.9156 eV
    Direct Gap = 1.998 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 61677

Band structure with spin-orbit coupling