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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-42507
  • 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: 18
  • Number of elements: 3
  • Element list: ['Cu', 'O', 'F']
  • Chemical System: Cu-F-O
  • Density: 4.913227281252768
  • Atomic Density: 0.08784820618981808
  • Unit Cell Volume: 204.8988907195952
  • Molar Volume: 6.855166452673666
  • Full Formula: Cu6 O1 F11
  • Reduced Formula: Cu6OF11
  • Formula Anonymous: AB6C11
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1