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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12002
  • 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: 16
  • Number of elements: 4
  • Element list: ['Cu', 'H', 'O', 'F']
  • Chemical System: Cu-F-H-O
  • Density: 4.141932262915089
  • Atomic Density: 0.10022245040619186
  • Unit Cell Volume: 159.6448693396894
  • Molar Volume: 6.008774217346361
  • Full Formula: Cu4 H4 O4 F4
  • Reduced Formula: CuHOF
  • Formula Anonymous: ABCD
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m