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  1. Third-Parties
  2. MatprojStructure
  3. mp-555610

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-555610
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Ce', 'B', 'O']
  • Chemical System: B-Ce-O
  • Density: 4.933610518094236
  • Atomic Density: 0.11063640265388076
  • Unit Cell Volume: 361.5446547474755
  • Molar Volume: 5.443182004787248
  • Full Formula: Ce4 B12 O24
  • Reduced Formula: Ce(BO2)3
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -347.3478639
  • Final energy per atom: -8.6836965975
  • 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.