• Formula : Rb2CO3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.87
    b = 10.12
    c = 7.33
    α = 90.0
    β = 97.65
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 160
  • Band gap = 3.6921 eV
    Direct Gap = 3.692 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Hochdrucksynthesen einiger Carbonate mit ueberkritischem C O2,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 462, 185 (1980)

Band structure with spin-orbit coupling