• Formula : Sr(AsO4)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.707
    b = 7.872
    c = 5.939
    α = 86.354
    β = 110.335
    γ = 112.241
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 136
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.500
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure cristalline du monoarseniate diacide de strontium Sr(H2AsO4)2 _cod_database_code 1008038,
    Acta Crystallographica, Section B 35, 1050 (1979)

Band structure with spin-orbit coupling