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  1. Third-Parties
  2. MatprojStructure
  3. mp-554531

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-554531
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 4
  • Element list: ['Li', 'La', 'Fe', 'O']
  • Chemical System: Fe-La-Li-O
  • Density: 5.875654757611778
  • Atomic Density: 0.08100686218148233
  • Unit Cell Volume: 1333.220385182234
  • Molar Volume: 7.434111873767435
  • Full Formula: Li22 La24 Fe6 O56
  • Reduced Formula: Li11La12Fe3O28
  • Formula Anonymous: A3B11C12D28
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -803.7199680800001
  • Final energy per atom: -7.441851556296297
  • 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.