• Formula : Si2Cu4NiS7
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 11.551
    b = 5.313
    c = 8.165
    α = 90.0
    β = 98.72
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 104
  • Band gap = 0.0 eV
    Direct Gap = 0.026 eV
    Metallicity = 0.409
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 100778

Band structure with spin-orbit coupling