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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112327
  • 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: 27
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Co', 'F']
  • Chemical System: Co-F-Li-Ti
  • Density: 3.829678334860069
  • Atomic Density: 0.09114490264486874
  • Unit Cell Volume: 296.2315962440719
  • Molar Volume: 6.6072161857084755
  • Full Formula: Li3 Ti3 Co3 F18
  • Reduced Formula: LiTiCoF6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 150
  • Spacegroup Symbol: P321
  • Crystal System: trigonal
  • Pointgroup: 321