• Formula : HgC2(SeN)2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.1245
    b = 4.2277
    c = 11.6449
    α = 90.0
    β = 92.131
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 84
  • Band gap = 2.326 eV
    Direct Gap = 2.434 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 85760

Band structure with spin-orbit coupling