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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-53178
  • 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: 22
  • Number of elements: 5
  • Element list: ['Cu', 'As', 'Pb', 'Cl', 'O']
  • Chemical System: As-Cl-Cu-O-Pb
  • Density: 6.14081162911141
  • Atomic Density: 0.04517980411825449
  • Unit Cell Volume: 486.94323557527554
  • Molar Volume: 13.32927593983704
  • Full Formula: Cu1 As2 Pb6 Cl7 O6
  • Reduced Formula: CuAs2Pb6Cl7O6
  • Formula Anonymous: AB2C6D6E7
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3