• Formula : Ba3(LiSn2)4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 18.549
    b = 6.685
    c = 6.792
    α = 90.0
    β = 98.34
    γ = 90.0
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 154
  • Band gap = 0.0 eV
    Direct Gap = 0.021 eV
    Metallicity = 0.313
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 240016

Band structure with spin-orbit coupling