• Formula : K3V3O8
  • Space Group : P-3m1 (164)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.651
    b = 5.651
    c = 7.392
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 114
  • Band gap = 0.0 eV
    Direct Gap = 0.027 eV
    Metallicity = 0.580
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    High pressure synthesis of K3 V (V O4)2, a new compound with Glaserite type structure,
    Materials Research Bulletin 15, 1099 (1980)

Band structure with spin-orbit coupling