• Formula : RbCuCl3
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 11.932
    b = 6.844
    c = 12.244
    α = 90.0
    β = 91.93
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 164
  • Band gap = 0.0 eV
    Direct Gap = 0.024 eV
    Metallicity = 0.396
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The cooperative Jahn-Teller distorted structure of Rb Cu Cl3,
    Journal of Solid State Chemistry 39, 168 (1981)

Band structure with spin-orbit coupling