• Formula : SnC2(SN)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.665
    b = 4.924
    c = 10.242
    α = 83.13
    β = 79.38
    γ = 93.33
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 88
  • Band gap = 2.4482 eV
    Direct Gap = 2.511 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 201193

Band structure with spin-orbit coupling