• Formula : MoPRu
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.03503
    b = 3.85311
    c = 6.94355
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 140
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.713
    Topological Z2 indices ν = (0;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure and electronic properties of the orthorhombic Mo Ru P superconductor prepaared at high pressure,
    Physical Review, Serie 3. B - Condensed Matter (18,1978-) 67, 144523-1 (2003)

Band structure with spin-orbit coupling