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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1340217
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 60
  • Number of elements: 2
  • Element list: ['Ba', 'Ir']
  • Chemical System: Ba-Ir
  • Density: 8.60014737436781
  • Atomic Density: 0.03178504750949845
  • Unit Cell Volume: 1887.6800477353374
  • Molar Volume: 18.946458262176204
  • Full Formula: Ba32 Ir28
  • Reduced Formula: Ba8Ir7
  • Formula Anonymous: A7B8
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23