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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100663
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ce', 'Zr', 'O']
  • Chemical System: Ce-O-Zr
  • Density: 6.6409792180791465
  • Atomic Density: 0.08124853384600142
  • Unit Cell Volume: 73.84748642200003
  • Molar Volume: 7.4119993000912165
  • Full Formula: Ce1 Zr1 O4
  • Reduced Formula: CeZrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m