• Formula : Ti4As3
  • Space Group : I-43d (220)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.6795
    b = 7.6795
    c = 7.6795
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 126
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.960
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 611492

Band structure with spin-orbit coupling