• Formula : CrPb2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 14.01
    b = 5.68
    c = 7.15
    α = 90.0
    β = 115.1
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 84
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.581
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure and lattice parameters of dilead(II) pentaoxochromate(VI),
    Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1972, 426 (1972)

Band structure with spin-orbit coupling