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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-42685
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'O', 'F']
  • Chemical System: F-Fe-Li-O
  • Density: 3.2430339225663953
  • Atomic Density: 0.09578791034409163
  • Unit Cell Volume: 292.3124630176995
  • Molar Volume: 6.286952850696003
  • Full Formula: Li8 Fe4 O4 F12
  • Reduced Formula: Li2FeOF3
  • Formula Anonymous: ABC2D3
  • Spacegroup Number: 76
  • Spacegroup Symbol: P4_1
  • Crystal System: tetragonal
  • Pointgroup: 4