• Formula : Rb4O3
  • Space Group : I-43d (220)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 9.3
    b = 9.3
    c = 9.3
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.570
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ueber die Kristallstrukturen der Rubidium- und Caesiumsesquioxyde _cod_database_code 1010171,
    Zeitschrift fur Anorganische und Allgemeine Chemie 242, 201 (1939)

Band structure with spin-orbit coupling