• Formula : In2PO5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.22
    b = 6.322
    c = 6.789
    α = 107.72
    β = 109.21
    γ = 95.76
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 122
  • Band gap = 2.4935 eV
    Direct Gap = 2.711 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 413858

Band structure with spin-orbit coupling