• Formula : Rb4Fe2O5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.1143
    b = 17.5
    c = 7.253
    α = 90.0
    β = 104.72
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 164
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.266
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 154291

Band structure with spin-orbit coupling