• Formula : NiC2(SN)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 10.476
    b = 3.628
    c = 6.165
    α = 90.0
    β = 106.89
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 40
  • Band gap = 0.0 eV
    Direct Gap = 0.014 eV
    Metallicity = 0.451
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 31320

Band structure with spin-orbit coupling