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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100080
  • 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: 10
  • Number of elements: 3
  • Element list: ['Li', 'Al', 'F']
  • Chemical System: Al-F-Li
  • Density: 2.598675867104105
  • Atomic Density: 0.0967248428475077
  • Unit Cell Volume: 103.38605580125447
  • Molar Volume: 6.22605380656369
  • Full Formula: Li3 Al1 F6
  • Reduced Formula: Li3AlF6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m