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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1736626
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['F', 'K', 'Ni']
  • Chemical System: F-K-Ni
  • Density: 3.7495630308089516
  • Atomic Density: 0.08100415646564865
  • Unit Cell Volume: 111.10540980470083
  • Molar Volume: 7.434360189348805
  • Full Formula: K2 Ni1 F6
  • Reduced Formula: K2NiF6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1