• Formula : Mg2B4Ru5
  • Space Group : Pbam (55)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.0
    b = 8.376
    c = 2.9542
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 224
  • Band gap = 0.0 eV
    Direct Gap = 0.014 eV
    Metallicity = 0.500
    Topological Z2 indices ν = (1;100)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Mg2 Ru5 B4 und Mg5 Ru13 B11, zwei ternaere Magnesium-Ruthenium-boride mit Kanalstrukturen,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 530, 127 (1985)

Band structure with spin-orbit coupling