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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-95952
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Ba', 'Nd', 'Ru', 'O']
  • Chemical System: Ba-Nd-O-Ru
  • Density: 6.5449951212858855
  • Atomic Density: 0.06398910373022415
  • Unit Cell Volume: 312.55321350208794
  • Molar Volume: 9.411197233499532
  • Full Formula: Ba4 Nd2 Ru2 O12
  • Reduced Formula: Ba2NdRuO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m