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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-42801
  • 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: 14
  • Number of elements: 4
  • Element list: ['Li', 'Co', 'O', 'F']
  • Chemical System: Co-F-Li-O
  • Density: 3.8298402401721057
  • Atomic Density: 0.1154997747858614
  • Unit Cell Volume: 121.21235756481988
  • Molar Volume: 5.21398485076283
  • Full Formula: Li5 Co2 O2 F5
  • Reduced Formula: Li5Co2O2F5
  • Formula Anonymous: A2B2C5D5
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm