• Formula : GeP2O7
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.73
    b = 6.724
    c = 4.6543
    α = 105.39
    β = 92.81
    γ = 91.49
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 112
  • Band gap = 4.4444 eV
    Direct Gap = 4.469 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 74876

Band structure with spin-orbit coupling