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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1282531
  • Created at: Sept. 4, 2022, 3:42 p.m.
  • Last updated at: Sept. 4, 2022, 3:42 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Bi', 'Ir', 'Li', 'O']
  • Chemical System: Bi-Ir-Li-O
  • Density: 8.537549542535583
  • Atomic Density: 0.08399722773389215
  • Unit Cell Volume: 952.412385006853
  • Molar Volume: 7.169451805098228
  • Full Formula: Li12 Bi12 Ir8 O48
  • Reduced Formula: Li3Bi3(IrO6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m