• Formula : B2AsCl2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.862
    b = 7.134
    c = 10.692
    α = 99.42
    β = 99.44
    γ = 118.19
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 100
  • Band gap = 3.294 eV
    Direct Gap = 3.350 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 80153

Band structure with spin-orbit coupling