• Formula : V2Zn2O7
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.9324
    b = 8.4394
    c = 5.0326
    α = 90.0
    β = 108.272
    γ = 90.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 92
  • Band gap = 2.8851 eV
    Direct Gap = 3.204 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 250002

Band structure with spin-orbit coupling