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  1. Third-Parties
  2. MatprojStructure
  3. mp-4843

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-4843
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 3
  • Element list: ['Ce', 'Zr', 'O']
  • Chemical System: Ce-O-Zr
  • Density: 6.517751836167932
  • Atomic Density: 0.07974091820963396
  • Unit Cell Volume: 1203.8988533794145
  • Molar Volume: 7.552133704013995
  • Full Formula: Ce16 Zr16 O64
  • Reduced Formula: CeZrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -913.90833659
  • Final energy per atom: -9.519878506145833
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.