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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87109
  • 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: 16
  • Number of elements: 4
  • Element list: ['K', 'C', 'O', 'F']
  • Chemical System: C-F-K-O
  • Density: 2.536807272742111
  • Atomic Density: 0.06225915036586451
  • Unit Cell Volume: 256.99033645618925
  • Molar Volume: 9.672699875618319
  • Full Formula: K6 C2 O6 F2
  • Reduced Formula: K3CO3F
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m