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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50723
  • 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: 12
  • Number of elements: 3
  • Element list: ['Li', 'Cu', 'F']
  • Chemical System: Cu-F-Li
  • Density: 3.295851970195397
  • Atomic Density: 0.11221985550405186
  • Unit Cell Volume: 106.93294823897472
  • Molar Volume: 5.3663772181408325
  • Full Formula: Li5 Cu1 F6
  • Reduced Formula: Li5CuF6
  • Formula Anonymous: AB5C6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m