• Formula : Rb9O2
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.351
    b = 14.023
    c = 11.685
    α = 90.0
    β = 104.51
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 186
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.830
    Topological Z2 indices ν = (1;010)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Das komplexe Metall Rb9 O2,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 431, 5 (1977)

Band structure with spin-orbit coupling