• Formula : Pb2SO5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 13.769
    b = 5.698
    c = 7.079
    α = 90.0
    β = 115.93
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 128
  • Band gap = 2.9251 eV
    Direct Gap = 3.025 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zur kristallstruktur von lanarkit, Pb2O(SO4) Locality: synthetic,
    Zeitschrift fur Kristallographie 132, 99 (1970)

Band structure with spin-orbit coupling