• Formula : Zn(SbO3)2
  • Space Group : P4_2/mnm (136)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.66
    b = 4.66
    c = 9.24
    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 = 0.9854 eV
    Direct Gap = 1.087 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of zinc metantimonate and similar compounds Locality: synthetic,
    Arkiv for Kemi, Mineralogi och Geologi, 15B4, 1 (1942)

Band structure with spin-orbit coupling