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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110619
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 4
  • Element list: ['Ba', 'Y', 'Fe', 'O']
  • Chemical System: Ba-Fe-O-Y
  • Density: 6.158124849649038
  • Atomic Density: 0.07986360352960155
  • Unit Cell Volume: 112.69213511839769
  • Molar Volume: 7.540532224754779
  • Full Formula: Ba1 Y1 Fe2 O5
  • Reduced Formula: BaYFe2O5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm