• Formula : RbCdH2I3O
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 10.911
    b = 10.03
    c = 8.778
    α = 90.0
    β = 90.6
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 100
  • Band gap = 2.3934 eV
    Direct Gap = 2.394 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 809

Band structure with spin-orbit coupling