• Formula : Sr2MnMoO6
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.6859
    b = 5.6642
    c = 8.0104
    α = 90.0
    β = 89.96
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 170
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.979
    Topological Z2 indices ν = (0;101)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 187668

Band structure with spin-orbit coupling