• Formula : Ti3Pt5
  • Space Group : Ibam (72)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.953
    b = 5.441
    c = 8.169
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 172
  • Band gap = 0.0 eV
    Direct Gap = 0.012 eV
    Metallicity = 0.670
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Strukturuntersuchungen in den Systemen Ti-Pd und Ti-Pt,
    Zeitschrift fuer Metallkunde 59, 724 (1968)

Band structure with spin-orbit coupling