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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114425
  • 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: 6
  • Number of elements: 3
  • Element list: ['As', 'O', 'F']
  • Chemical System: As-F-O
  • Density: 5.06556461154045
  • Atomic Density: 0.08325793874974398
  • Unit Cell Volume: 72.06519990886095
  • Molar Volume: 7.233112962478329
  • Full Formula: As2 O2 F2
  • Reduced Formula: AsOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm