• Formula : ZnSi(AgO2)2
  • Space Group : Pc (7)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.9732
    b = 5.4967
    c = 5.4199
    α = 90.0
    β = 89.562
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 124
  • Band gap = 0.5309 eV
    Direct Gap = 0.677 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 81327

Band structure with spin-orbit coupling