• Formula : Rb2FeI4
  • Space Group : P2_1 (4)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 7.705
    b = 8.182
    c = 10.341
    α = 90.0
    β = 109.87
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.045
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 8010

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes