• Formula : As2Ru
  • Space Group : Pnnm (58)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.4279
    b = 6.1834
    c = 2.9685
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 52
  • Band gap = 0.4005 eV
    Direct Gap = 1.052 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Compounds with the marcasite type crystal structure. XII. Structural data for RuP2, RuAs2, RuSb2, OsP2, OsAs2, and OsSb2 Locality: synthetic,
    Acta Chemica Scandinavica A 31, 253 (1977)

Band structure with spin-orbit coupling