• Formula : VSnPO5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.2633
    b = 6.5252
    c = 6.8785
    α = 113.283
    β = 108.037
    γ = 94.603
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 124
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.340
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 415445

Band structure with spin-orbit coupling