• Formula : K4V2O7
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 10.222
    b = 6.2309
    c = 7.282
    α = 90.0
    β = 101.31
    γ = 90.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 104
  • Band gap = 3.7624 eV
    Direct Gap = 3.802 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 250388

Band structure with spin-orbit coupling