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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106468
  • 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: 7
  • Number of elements: 4
  • Element list: ['Cu', 'Pb', 'O', 'F']
  • Chemical System: Cu-F-O-Pb
  • Density: 7.80054166414019
  • Atomic Density: 0.06001218297948825
  • Unit Cell Volume: 116.64298234897656
  • Molar Volume: 10.034863691024748
  • Full Formula: Cu1 Pb2 O2 F2
  • Reduced Formula: CuPb2(OF)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm