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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-6262
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['F', 'K', 'Ni']
  • Chemical System: F-K-Ni
  • Density: 3.7301640963417446
  • Atomic Density: 0.07331642397828884
  • Unit Cell Volume: 163.67410395730096
  • Molar Volume: 8.21390410664783
  • Full Formula: K3 Ni2 F7
  • Reduced Formula: K3Ni2F7
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm