• Formula : Cu(RhS2)2
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.89
    b = 9.89
    c = 9.89
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 138
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.589
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Mossbauer studies of thiospinels. V. The systems Cu1-xFexMe2S4 (Me=Cr,Rh) and Cu1-xFexCr2(S.7Se.3)4 Locality: synthetic,
    Journal of Solid State Chemistry 40, 255 (1981)

Band structure with spin-orbit coupling