• Formula : SrTe3O8
  • Space Group : P4_2/m (84)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.8321
    b = 6.8321
    c = 6.7605
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 152
  • Band gap = 2.4893 eV
    Direct Gap = 2.556 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Redetermination of SrTe~3~O~8~ from a hydrothermally grown single crystal,
    Acta Crystallographica Section E 63, i116 (2007)

Band structure with spin-orbit coupling