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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-18490
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Cu', 'Au', 'F']
  • Chemical System: Au-Cu-F
  • Density: 6.143874371665441
  • Atomic Density: 0.07285276898327037
  • Unit Cell Volume: 96.08419964939773
  • Molar Volume: 8.266179644294512
  • Full Formula: Cu1 Au1 F5
  • Reduced Formula: CuAuF5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1