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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1386851
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ba', 'F', 'Hf']
  • Chemical System: Ba-F-Hf
  • Density: 6.383599265518382
  • Atomic Density: 0.07155378270058371
  • Unit Cell Volume: 223.60802456736474
  • Molar Volume: 8.416243743813805
  • Full Formula: Ba2 Hf2 F12
  • Reduced Formula: BaHfF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 67
  • Spacegroup Symbol: Cmme
  • Crystal System: orthorhombic
  • Pointgroup: mmm