• Formula : Rb2PbO3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 10.8
    b = 7.49
    c = 5.98
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 200
  • Band gap = 1.4824 eV
    Direct Gap = 1.484 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur von Rb2 Pb O3,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 375, 255 (1970)

Band structure with spin-orbit coupling