• Formula : RbVP2S7
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 8.583
    b = 9.568
    c = 6.4694
    α = 90.0
    β = 98.22
    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 = 0.011 eV
    Metallicity = 0.754
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 73782

Band structure with spin-orbit coupling