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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-43058
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ni', 'O', 'F']
  • Chemical System: F-Ni-O
  • Density: 4.816718559960394
  • Atomic Density: 0.0909398909764355
  • Unit Cell Volume: 197.93294017324246
  • Molar Volume: 6.622111259799583
  • Full Formula: Ni6 O2 F10
  • Reduced Formula: Ni3OF5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m