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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-44330
  • 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: 18
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'O', 'F']
  • Chemical System: F-Fe-Li-O
  • Density: 2.7682363210024548
  • Atomic Density: 0.099622043205655
  • Unit Cell Volume: 180.6829033092772
  • Molar Volume: 6.044988203632984
  • Full Formula: Li8 Fe2 O6 F2
  • Reduced Formula: Li4FeO3F
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2