• Formula : RbCrI3
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 13.586
    b = 7.923
    c = 14.094
    α = 90.0
    β = 96.88
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 176
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.604
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Neutron powder diffraction on Rb Cr I3 and magnetic measurements on Rb Cr I3 and Cs Cr I3,
    Journal of Solid State Chemistry 38, 199 (1981)

Band structure with spin-orbit coupling