• Formula : RbBO2
  • Space Group : R-3c (167)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 13.1572
    b = 13.1572
    c = 7.7434
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 144
  • Band gap = 4.0852 eV
    Direct Gap = 4.085 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Rubidium metaborate, Rb~3~B~3~O~6~,
    Acta Crystallographica Section C 60, i69 (2004)

Band structure with spin-orbit coupling