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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-94961
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Al', 'O', 'F']
  • Chemical System: Al-F-O
  • Density: 2.336368590836106
  • Atomic Density: 0.07462748425071256
  • Unit Cell Volume: 93.79922250203903
  • Molar Volume: 8.069601729797691
  • Full Formula: Al1 O3 F3
  • Reduced Formula: Al(OF)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m