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  1. Third-Parties
  2. MatprojStructure
  3. mp-752680

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-752680
  • 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: 32
  • Number of elements: 3
  • Element list: ['Li', 'Fe', 'O']
  • Chemical System: Fe-Li-O
  • Density: 2.595602385919894
  • Atomic Density: 0.09501658225630945
  • Unit Cell Volume: 336.78331971233456
  • Molar Volume: 6.337989240399255
  • Full Formula: Li16 Fe4 O12
  • Reduced Formula: Li4FeO3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -184.82381073
  • Final energy per atom: -5.7757440853125
  • 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.