• Formula : Rb2CuCl4
  • Space Group : Cmce (64)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 15.534
    b = 7.197
    c = 7.187
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 114
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.938
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Preparation of compounds A2 Cu Cl4-x Brx (A= K, Rb, N H4, Tl; x= 0, 1, 2) and crystal structures of compounds Rb2 Cu Cl4-x Brx with ordered distribution of the anions,
    Materials Research Bulletin 9, 345 (1974)

Band structure with spin-orbit coupling