• Formula : TaSbO4
  • Space Group : Pnna (52)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.916
    b = 5.542
    c = 11.78
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 168
  • Band gap = 0.0 eV
    Direct Gap = 0.009 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ueber den Bau des wahren Antimontetroxyds und des damit isomorphen Stibiotantalits, Sb Ta O4,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 239, 57 (1938)

Band structure with spin-orbit coupling