• Formula : SrPO4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.184
    b = 6.79
    c = 7.256
    α = 94.68
    β = 104.97
    γ = 88.77
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 156
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.180
    Topological Z2 indices ν = (1;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure cristalline de l'orthophosphate monoacide de strontium: SrHPO4 alpha: forme triclinique _cod_database_code 1008031,
    Acta Crystallographica, Section B 34, 2692 (1978)

Band structure with spin-orbit coupling