• Formula : HgC2(SN)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 10.878
    b = 4.042
    c = 6.435
    α = 90.0
    β = 95.28
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 42
  • Band gap = 2.286 eV
    Direct Gap = 2.380 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 10304

Band structure with spin-orbit coupling