• Formula : ZnSb2
  • Space Group : P-4n2 (118)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.585
    b = 6.585
    c = 6.585
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.012 eV
    Metallicity = 0.273
    Topological Z2 indices ν = (0;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of zinc meta-antimonate Zn (Sb O3)2 _cod_database_code 1010617,
    Zeitschrift fur Kristallographie 98, 185 (1938)

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes