• Formula : Ba3(ZnAs2)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 16.916
    b = 4.4972
    c = 7.2252
    α = 90.0
    β = 113.147
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 74
  • Band gap = 0.0 eV
    Direct Gap = 0.022 eV
    Metallicity = 0.024
    Topological Z2 indices ν = (0;110)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 424760

Band structure with spin-orbit coupling