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  1. Third-Parties
  2. MatprojStructure
  3. mp-642871

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-642871
  • 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: 36
  • Number of elements: 4
  • Element list: ['Ce', 'B', 'Mo', 'O']
  • Chemical System: B-Ce-Mo-O
  • Density: 4.8796321766434945
  • Atomic Density: 0.07713640082736939
  • Unit Cell Volume: 466.7057266590347
  • Molar Volume: 7.807132165107755
  • Full Formula: Ce4 B4 Mo4 O24
  • Reduced Formula: CeBMoO6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -312.61058718999993
  • Final energy per atom: -8.683627421944443
  • 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.