• Formula : PbSeO4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.154
    b = 7.407
    c = 6.954
    α = 90.0
    β = 103.14
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 176
  • Band gap = 3.3853 eV
    Direct Gap = 3.505 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Four monazite type structures: comparison of SrCrO4, SrSeO4, PbCrO4 (crocoite), and PbSeO4,
    Zeitschrift fur Kristallographie 176, 75 (1986)

Band structure with spin-orbit coupling