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  1. Third-Parties
  2. MatprojStructure
  3. mp-756384

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-756384
  • 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: 22
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Fe', 'O']
  • Chemical System: Cr-Fe-Li-O
  • Density: 4.351971767355264
  • Atomic Density: 0.09673627209626982
  • Unit Cell Volume: 227.42244995864715
  • Molar Volume: 6.225318207431951
  • Full Formula: Li3 Cr2 Fe5 O12
  • Reduced Formula: Li3Cr2Fe5O12
  • Formula Anonymous: A2B3C5D12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -167.4288368
  • Final energy per atom: -7.6104016727272725
  • 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.