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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-32296
  • 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: 36
  • Number of elements: 3
  • Element list: ['C', 'I', 'F']
  • Chemical System: C-F-I
  • Density: 3.614406656150443
  • Atomic Density: 0.07204682401444144
  • Unit Cell Volume: 499.6750445624636
  • Molar Volume: 8.358648479484524
  • Full Formula: C4 I4 F28
  • Reduced Formula: CIF7
  • Formula Anonymous: ABC7
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m