• Formula : BaSn5
  • Space Group : P6/mmm (191)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.3734
    b = 5.3734
    c = 7.097
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 80
  • Band gap = 0.0 eV
    Direct Gap = 0.010 eV
    Metallicity = 0.705
    Topological Z2 indices ν = (1;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 107305

Band structure with spin-orbit coupling