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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97383
  • 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: 30
  • Number of elements: 3
  • Element list: ['Ba', 'Ir', 'O']
  • Chemical System: Ba-Ir-O
  • Density: 8.896310310721214
  • Atomic Density: 0.07095211204776154
  • Unit Cell Volume: 422.82039440637715
  • Molar Volume: 8.487613104379733
  • Full Formula: Ba6 Ir6 O18
  • Reduced Formula: BaIrO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m