• Formula : Sc3As2
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.3754
    b = 3.8063
    c = 10.3754
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 172
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.912
    Topological Z2 indices ν = (1;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    X-ray powder profile refinement of the structure of pseudotetragonal Sc3 As2,
    Acta Chemica Scandinavica, Series A: (28,1974-) 34, 463 (1980)

Band structure with spin-orbit coupling