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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50768
  • 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: 10
  • Number of elements: 3
  • Element list: ['Cu', 'O', 'F']
  • Chemical System: Cu-F-O
  • Density: 3.654942774971325
  • Atomic Density: 0.060773090378978746
  • Unit Cell Volume: 164.54651125424706
  • Molar Volume: 9.909222523399999
  • Full Formula: Cu4 O2 F4
  • Reduced Formula: Cu2OF2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm