• Formula : Cu(RhO2)2
  • Space Group : I4_1/amd (141)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.1756
    b = 6.1756
    c = 7.9006
    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 = 0.780
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Spinels CuCr~2~O~4~ and CuRh~2~O~4~,
    Acta Crystallographica Section C 53, 657 (1997)

Band structure with spin-orbit coupling