• Formula : ScCuS2
  • Space Group : P3m1 (156)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 3.7333
    b = 3.7333
    c = 6.098
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 34
  • Band gap = 0.8732 eV
    Direct Gap = 1.546 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 15298

Band structure with spin-orbit coupling