• Formula : Ni(RhSe2)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.2821
    b = 3.6491
    c = 10.844
    α = 90.0
    β = 92.24
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 68
  • Band gap = 0.0 eV
    Direct Gap = 0.009 eV
    Metallicity = 0.436
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure and transport properties of Ni Rh~2~ Se~4~,
    Inorganic Chemistry 8, 850 (1969)

Band structure with spin-orbit coupling