• Formula : SiCu2NiS4
  • Space Group : P2/m (10)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.143
    b = 5.311
    c = 5.179
    α = 90.0
    β = 89.6
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 60
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.578
    Topological Z2 indices ν = (1;011)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 628554

Band structure with spin-orbit coupling