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  1. Third-Parties
  2. MatprojStructure
  3. mp-758960

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-758960
  • 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: 46
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Fe', 'O']
  • Chemical System: Fe-Li-O-Ti
  • Density: 4.291347440973241
  • Atomic Density: 0.099945429735743
  • Unit Cell Volume: 460.25116027440765
  • Molar Volume: 6.025428852447399
  • Full Formula: Li8 Ti4 Fe10 O24
  • Reduced Formula: Li4Ti2Fe5O12
  • Formula Anonymous: A2B4C5D12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -354.40908728
  • Final energy per atom: -7.704545375652174
  • 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.