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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1715141
  • 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: 11
  • Number of elements: 3
  • Element list: ['F', 'Fe', 'Nb']
  • Chemical System: F-Fe-Nb
  • Density: 4.936770744846985
  • Atomic Density: 0.09171179116360327
  • Unit Cell Volume: 119.94095699621946
  • Molar Volume: 6.566375690184912
  • Full Formula: Nb1 Fe2 F8
  • Reduced Formula: NbFe2F8
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4