• Formula : Ca4Ni3C5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 11.087
    b = 3.771
    c = 9.839
    α = 90.0
    β = 112.58
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 90
  • Band gap = 0.0 eV
    Direct Gap = 0.047 eV
    Metallicity = 0.184
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 71440

Band structure with spin-orbit coupling