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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1536285
  • Created at: Sept. 4, 2022, 3:55 p.m.
  • Last updated at: Sept. 4, 2022, 3:55 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Al', 'Br', 'Y']
  • Chemical System: Al-Br-Y
  • Density: 10.870554084382594
  • Atomic Density: 0.08761170458103096
  • Unit Cell Volume: 114.14000044652855
  • Molar Volume: 6.873671490354579
  • Full Formula: Y6 Al2 Br2
  • Reduced Formula: Y3AlBr
  • Formula Anonymous: ABC3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m