• Formula : RbFeCl4
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 11.224
    b = 7.138
    c = 9.31
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 180
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.746
    Topological Z2 indices ν = (1;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Caracterisation et etude de proprietes physiques de conducteurs ioniques MFeCl4 (M = Li, Na, K, Rb, Cs),
    European Journal of Solid State and Inorganic Chemistry 25, 35 (1988)

Band structure with spin-orbit coupling