• Formula : Sr3As4
  • Space Group : Fdd2 (43)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 14.84
    b = 17.89
    c = 5.97
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 100
  • Band gap = 0.5938 eV
    Direct Gap = 0.831 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur des Sr3 As4,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32, 1368 (1977)

Band structure with spin-orbit coupling