• Formula : AsN(OF3)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 9.053
    b = 5.79
    c = 5.077
    α = 90.0
    β = 90.09
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 64
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.358
    Topological Z2 indices ν = (0;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 68906

Band structure with spin-orbit coupling