• Formula : RbBiO2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.062
    b = 8.3888
    c = 5.9814
    α = 90.0
    β = 123.68
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 72
  • Band gap = 2.0422 eV
    Direct Gap = 2.042 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 407208

Band structure with spin-orbit coupling