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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-26879
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 5
  • Element list: ['Ba', 'Y', 'Fe', 'Cu', 'O']
  • Chemical System: Ba-Cu-Fe-O-Y
  • Density: 6.073381540121195
  • Atomic Density: 0.07733945055274287
  • Unit Cell Volume: 116.37010523965782
  • Molar Volume: 7.786635044547032
  • Full Formula: Ba1 Y1 Fe1 Cu1 O5
  • Reduced Formula: BaYFeCuO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm