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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101440
  • 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: 10
  • Number of elements: 4
  • Element list: ['Zr', 'Ti', 'Pb', 'O']
  • Chemical System: O-Pb-Ti-Zr
  • Density: 7.875240706982779
  • Atomic Density: 0.07302036663485936
  • Unit Cell Volume: 136.94809353677056
  • Molar Volume: 8.247206960920783
  • Full Formula: Zr1 Ti1 Pb2 O6
  • Reduced Formula: ZrTi(PbO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m