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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110321
  • 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: 10
  • Number of elements: 4
  • Element list: ['Li', 'Ni', 'O', 'F']
  • Chemical System: F-Li-Ni-O
  • Density: 5.161230954816467
  • Atomic Density: 0.11263217120143715
  • Unit Cell Volume: 88.78457987030622
  • Molar Volume: 5.346732372964466
  • Full Formula: Li2 Ni3 O3 F2
  • Reduced Formula: Li2Ni3O3F2
  • Formula Anonymous: A2B2C3D3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm