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  1. Third-Parties
  2. MatprojStructure
  3. mp-771093

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-771093
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Fe', 'O']
  • Chemical System: Cr-Fe-Li-O
  • Density: 4.38672508641598
  • Atomic Density: 0.09215439920643163
  • Unit Cell Volume: 455.75686415053684
  • Molar Volume: 6.534838067263645
  • Full Formula: Li3 Cr10 Fe5 O24
  • Reduced Formula: Li3Cr10Fe5O24
  • Formula Anonymous: A3B5C10D24
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -354.6229451
  • Final energy per atom: -8.443403454761905
  • 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.