• Formula : KVP2S7
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 8.5553
    b = 9.5765
    c = 6.3323
    α = 90.0
    β = 98.63
    γ = 90.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 74
  • Band gap = 0.0 eV
    Direct Gap = 0.009 eV
    Metallicity = 0.724
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 91756

Band structure with spin-orbit coupling