• Formula : Y5(FeTe)2
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.9594
    b = 15.057
    c = 15.216
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 166
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.721
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Two-dimensional metallic chain compounds Y5 M2 Te2 (M = Fe, Co, Ni) that are related to Gd3 Mn I3. The hydride derivative Y5 Ni2 Te2 D0.4,
    Inorganic Chemistry 43, 2556 (2004)

Band structure with spin-orbit coupling