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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34490
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'Co', 'F']
  • Chemical System: Ca-Co-F-Li
  • Density: 3.4084299938061244
  • Atomic Density: 0.08399209379025284
  • Unit Cell Volume: 214.30588508663746
  • Molar Volume: 7.169890031600642
  • Full Formula: Li2 Ca2 Co2 F12
  • Reduced Formula: LiCaCoF6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m