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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97613
  • 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: 32
  • Number of elements: 3
  • Element list: ['Ba', 'Ir', 'O']
  • Chemical System: Ba-Ir-O
  • Density: 8.41548590418449
  • Atomic Density: 0.06705322836105428
  • Unit Cell Volume: 477.23280119628333
  • Molar Volume: 8.981134700290983
  • Full Formula: Ba7 Ir6 O19
  • Reduced Formula: Ba7Ir6O19
  • Formula Anonymous: A6B7C19
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m