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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-121004
  • 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: 3
  • Number of elements: 3
  • Element list: ['H', 'O', 'F']
  • Chemical System: F-H-O
  • Density: 0.39401923671904077
  • Atomic Density: 0.019770506832558536
  • Unit Cell Volume: 151.74117818059824
  • Molar Volume: 30.460224469726775
  • Full Formula: H1 O1 F1
  • Reduced Formula: HOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm