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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1736542
  • Created at: Sept. 4, 2022, 4:02 p.m.
  • Last updated at: Sept. 4, 2022, 4:02 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ba', 'F', 'Yb']
  • Chemical System: Ba-F-Yb
  • Density: 7.382894899267675
  • Atomic Density: 0.06904559757190758
  • Unit Cell Volume: 173.7981916588178
  • Molar Volume: 8.721976450023822
  • Full Formula: Ba2 Yb2 F8
  • Reduced Formula: BaYbF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm