• Formula : ZnH8(N2Cl)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 8.99
    b = 7.92
    c = 4.13
    α = 90.0
    β = 105.53
    γ = 90.0
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 54
  • Band gap = 3.8143 eV
    Direct Gap = 4.554 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 15875

Band structure with spin-orbit coupling