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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226762

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-1226762
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Ce', 'Th', 'O']
  • Chemical System: Ce-O-Th
  • Density: 8.009328775439712
  • Atomic Density: 0.07136670788314763
  • Unit Cell Volume: 126.1092218900746
  • Molar Volume: 8.438305392845583
  • Full Formula: Ce2 Th1 O6
  • Reduced Formula: Ce2ThO6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -85.58975268
  • Final energy per atom: -9.50997252
  • 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.