• Formula : RbFeF4
  • Space Group : Pbcm (57)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.615
    b = 6.245
    c = 7.62
    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 = 0.225
    Topological Z2 indices ν = (0;100)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ferroelastic effect in Rb Fe F4 and Cs Fe F4,
    Materials Research Bulletin 7, 715 (1972)

Band structure with spin-orbit coupling