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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1385278
  • Created at: Sept. 4, 2022, 3:48 p.m.
  • Last updated at: Sept. 4, 2022, 3:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Ba', 'F', 'Y']
  • Chemical System: Ba-F-Y
  • Density: 5.370985647902578
  • Atomic Density: 0.07616643139077676
  • Unit Cell Volume: 144.42057740061097
  • Molar Volume: 7.906554961335947
  • Full Formula: Ba1 Y2 F8
  • Reduced Formula: BaY2F8
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m