• Formula : RbCu3S2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 14.813
    b = 3.941
    c = 8.364
    α = 90.0
    β = 112.23
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 108
  • Band gap = 0.4589 eV
    Direct Gap = 0.459 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of rubidium dithiotricuprate, RbCu~3~S~2~,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 217, 474 (2002)

Band structure with spin-orbit coupling