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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-44787
  • 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: 12
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'O', 'F']
  • Chemical System: F-Fe-Li-O
  • Density: 4.306516232455239
  • Atomic Density: 0.09711299220842019
  • Unit Cell Volume: 123.5674004797016
  • Molar Volume: 6.201168991967121
  • Full Formula: Li1 Fe3 O2 F6
  • Reduced Formula: LiFe3(OF3)2
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m