• Formula : PPb
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 12.852
    b = 7.076
    c = 7.096
    α = 90.0
    β = 95.4
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 152
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.483
    Topological Z2 indices ν = (0;111)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 40162

Band structure with spin-orbit coupling