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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-42267
  • 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: 14
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'O', 'F']
  • Chemical System: F-Fe-Li-O
  • Density: 3.282850365956287
  • Atomic Density: 0.09696394920175286
  • Unit Cell Volume: 144.38355817036913
  • Molar Volume: 6.210700790940078
  • Full Formula: Li4 Fe2 O2 F6
  • Reduced Formula: Li2FeOF3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m