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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112615
  • 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: 15
  • Number of elements: 4
  • Element list: ['Zr', 'Ti', 'Pb', 'O']
  • Chemical System: O-Pb-Ti-Zr
  • Density: 7.7876950203717055
  • Atomic Density: 0.07063682631159993
  • Unit Cell Volume: 212.35382141647426
  • Molar Volume: 8.52549735662607
  • Full Formula: Zr2 Ti1 Pb3 O9
  • Reduced Formula: Zr2Ti(PbO3)3
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m