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  1. Third-Parties
  2. MatprojStructure
  3. mp-770520

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-770520
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Li', 'Ti', 'Cr', 'Fe', 'O']
  • Chemical System: Cr-Fe-Li-O-Ti
  • Density: 4.1272853969049335
  • Atomic Density: 0.09899445791761564
  • Unit Cell Volume: 282.844116620164
  • Molar Volume: 6.083311012230296
  • Full Formula: Li4 Ti2 Cr3 Fe3 O16
  • Reduced Formula: Li4Ti2Cr3Fe3O16
  • Formula Anonymous: A2B3C3D4E16
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -222.00503063
  • Final energy per atom: -7.928751093928571
  • 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.