• Formula : Ga2Te4O11
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.125
    b = 6.559
    c = 8.173
    α = 75.06
    β = 89.25
    γ = 69.62
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 116
  • Band gap = 3.5667 eV
    Direct Gap = 3.696 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of a new gallium tellurite: Ga2 Te4 O11,
    Solid State Sciences 3, 423 (2001)

Band structure with spin-orbit coupling