• Formula : RbSbBrF3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.72
    b = 4.448
    c = 8.906
    α = 100.5
    β = 109.96
    γ = 103.68
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 84
  • Band gap = 3.7376 eV
    Direct Gap = 3.872 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 200109

Band structure with spin-orbit coupling