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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-42298
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 13
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'O', 'F']
  • Chemical System: F-Fe-Li-O
  • Density: 2.3367508766308642
  • Atomic Density: 0.09034727934176609
  • Unit Cell Volume: 143.8892249408368
  • Molar Volume: 6.665547434161708
  • Full Formula: Li6 Fe1 O3 F3
  • Reduced Formula: Li6Fe(OF)3
  • Formula Anonymous: AB3C3D6
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m