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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85595
  • 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: 18
  • Number of elements: 4
  • Element list: ['Ba', 'Nd', 'Fe', 'O']
  • Chemical System: Ba-Fe-Nd-O
  • Density: 6.674197939114442
  • Atomic Density: 0.07643572087201222
  • Unit Cell Volume: 235.4919898006862
  • Molar Volume: 7.878699502401205
  • Full Formula: Ba2 Nd2 Fe4 O10
  • Reduced Formula: BaNdFe2O5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm