• Formula : AsPb2Cl2O3
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.41
    b = 5.525
    c = 9.293
    α = 90.0
    β = 90.69
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 130
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.849
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure of dilead(II) hydrogenarsenate(III) dichloride,
    Acta Crystallographica, Section C 46, 541 (1990)

Band structure with spin-orbit coupling