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  1. Third-Parties
  2. MatprojStructure
  3. mp-555444

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-555444
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 4
  • Element list: ['Ce', 'Zr', 'P', 'O']
  • Chemical System: Ce-O-P-Zr
  • Density: 3.1751932060378625
  • Atomic Density: 0.06447377037528046
  • Unit Cell Volume: 1613.0590687445524
  • Molar Volume: 9.340450736705973
  • Full Formula: Ce2 Zr12 P18 O72
  • Reduced Formula: CeZr6(PO4)9
  • Formula Anonymous: AB6C9D36
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -904.96420477
  • Final energy per atom: -8.701578892019231
  • 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.