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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-13172
  • 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: 8
  • Number of elements: 3
  • Element list: ['F', 'Nb', 'V']
  • Chemical System: F-Nb-V
  • Density: 4.4539570774798545
  • Atomic Density: 0.08322225690154922
  • Unit Cell Volume: 96.12813083720968
  • Molar Volume: 7.2362141862171665
  • Full Formula: Nb1 V1 F6
  • Reduced Formula: NbVF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3