• Formula : Rb4Fe2S5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.4465
    b = 8.5121
    c = 10.4277
    α = 77.99
    β = 85.244
    γ = 81.051
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 164
  • Band gap = 0.0 eV
    Direct Gap = 0.013 eV
    Metallicity = 0.100
    Topological Z2 indices ν = (0;101)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 425071

Band structure with spin-orbit coupling