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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1363595
  • Created at: Sept. 4, 2022, 3:49 p.m.
  • Last updated at: Sept. 4, 2022, 3:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ca', 'F', 'Hf']
  • Chemical System: Ca-F-Hf
  • Density: 5.7961357391576485
  • Atomic Density: 0.08396755164113189
  • Unit Cell Volume: 190.54979795507492
  • Molar Volume: 7.171985656718884
  • Full Formula: Ca2 Hf2 F12
  • Reduced Formula: CaHfF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 67
  • Spacegroup Symbol: Cmme
  • Crystal System: orthorhombic
  • Pointgroup: mmm