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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120752
  • 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: 30
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'O', 'F']
  • Chemical System: F-Fe-Li-O
  • Density: 2.4235949232597354
  • Atomic Density: 0.10406907279887072
  • Unit Cell Volume: 288.2700805644685
  • Molar Volume: 5.786676673519231
  • Full Formula: Li16 Fe2 O10 F2
  • Reduced Formula: Li8FeO5F
  • Formula Anonymous: ABC5D8
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6