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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-42262
  • Created at: Sept. 4, 2022, 3:21 p.m.
  • Last updated at: Sept. 4, 2022, 3:21 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['O', 'Pb', 'Zr']
  • Chemical System: O-Pb-Zr
  • Density: 7.964525322346081
  • Atomic Density: 0.06922693261910991
  • Unit Cell Volume: 577.8097986817071
  • Molar Volume: 8.699129850421256
  • Full Formula: Zr8 Pb8 O24
  • Reduced Formula: ZrPbO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 32
  • Spacegroup Symbol: Pba2
  • Crystal System: orthorhombic
  • Pointgroup: mm2