• Formula : Cu(PtS2)2
  • Space Group : P2/m (10)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.6478
    b = 6.935
    c = 6.7411
    α = 90.0
    β = 91.942
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 110
  • Band gap = 0.2819 eV
    Direct Gap = 0.636 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 74894

Band structure with spin-orbit coupling