• Formula : Ba3(AlSn)2
  • Space Group : Immm (71)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.594
    b = 20.634
    c = 5.23
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 64
  • Band gap = 0.0 eV
    Direct Gap = 0.036 eV
    Metallicity = 0.481
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Sr3 Al2 Sn2 und Ba3 Al2 Sn2 - ternaere Stannide im Ta3 Br4-Strukturtyp,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 34, 1769 (1979)

Band structure with spin-orbit coupling