Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: jvasp-108831
  • 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: 8
  • Number of elements: 4
  • Element list: ['Li', 'Ni', 'O', 'F']
  • Chemical System: F-Li-Ni-O
  • Density: 5.7885045661904595
  • Atomic Density: 0.11154146257868815
  • Unit Cell Volume: 71.72220818205886
  • Molar Volume: 5.399015416129777
  • Full Formula: Li1 Ni3 O3 F1
  • Reduced Formula: LiNi3O3F
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm