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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228669

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-1228669
  • 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: 86
  • Number of elements: 4
  • Element list: ['Ce', 'B', 'Br', 'O']
  • Chemical System: B-Br-Ce-O
  • Density: 2.8831809554312087
  • Atomic Density: 0.07452970343818384
  • Unit Cell Volume: 1153.9023507765573
  • Molar Volume: 8.080188813571306
  • Full Formula: Ce4 B24 Br4 O54
  • Reduced Formula: Ce2B12Br2O27
  • Formula Anonymous: A2B2C12D27
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -654.1215015299999
  • Final energy per atom: -7.606063971279069
  • 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.