• Formula : V4NiS8
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 11.39
    b = 6.63
    c = 11.2
    α = 90.0
    β = 91.7
    γ = 90.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 110
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.292
    Topological Z2 indices ν = (1;111)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 35141

Band structure with spin-orbit coupling