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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22710
  • 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: 10
  • Number of elements: 3
  • Element list: ['Li', 'Ni', 'F']
  • Chemical System: F-Li-Ni
  • Density: 3.9339144800865724
  • Atomic Density: 0.09659407227318824
  • Unit Cell Volume: 103.52602146970166
  • Molar Volume: 6.2344827361332555
  • Full Formula: Li2 Ni2 F6
  • Reduced Formula: LiNiF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3