• Formula : Pb(CO2)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.5625
    b = 6.9844
    c = 5.5784
    α = 109.554
    β = 113.616
    γ = 88.813
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 92
  • Band gap = 2.7558 eV
    Direct Gap = 2.756 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 109831

Band structure with spin-orbit coupling