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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109821
  • 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: 10
  • Number of elements: 3
  • Element list: ['Li', 'Fe', 'F']
  • Chemical System: F-Fe-Li
  • Density: 3.310277664217361
  • Atomic Density: 0.10455849859207297
  • Unit Cell Volume: 95.6402409622793
  • Molar Volume: 5.759589933951636
  • Full Formula: Li3 Fe1 F6
  • Reduced Formula: Li3FeF6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m