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  1. Third-Parties
  2. MatprojStructure
  3. mp-752983

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-752983
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Ce', 'Zr', 'O']
  • Chemical System: Ce-O-Zr
  • Density: 5.995120431483423
  • Atomic Density: 0.08374451121787888
  • Unit Cell Volume: 286.58594636201263
  • Molar Volume: 7.191087120124376
  • Full Formula: Ce1 Zr7 O16
  • Reduced Formula: CeZr7O16
  • Formula Anonymous: AB7C16
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -235.66920194
  • Final energy per atom: -9.819550080833332
  • 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.