• Formula : Fe2TeO6
  • Space Group : P4_2/mnm (136)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.6057
    b = 4.6057
    c = 9.0923
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 116
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.206
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural and thermochemical studies on Cr2 Te O6 and Fe2 Te O6,
    Journal of Alloys Compd. 316, 264 (2001)

Band structure with spin-orbit coupling