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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198521

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-1198521
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Ce', 'B', 'Br', 'O']
  • Chemical System: B-Br-Ce-O
  • Density: 2.849287225645536
  • Atomic Density: 0.06862480400753891
  • Unit Cell Volume: 1049.1833243281876
  • Molar Volume: 8.77545786409594
  • Full Formula: Ce4 B20 Br4 O44
  • Reduced Formula: CeB5BrO11
  • Formula Anonymous: ABC5D11
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -552.16198488
  • Final energy per atom: -7.6689164566666665
  • 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.