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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107769
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Ce', 'Zr', 'O']
  • Chemical System: Ce-O-Zr
  • Density: 6.7782951912961815
  • Atomic Density: 0.07859166621463679
  • Unit Cell Volume: 114.51595866946838
  • Molar Volume: 7.662569137487566
  • Full Formula: Ce2 Zr1 O6
  • Reduced Formula: Ce2ZrO6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm