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  1. Third-Parties
  2. MatprojStructure
  3. mp-773010

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-773010
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Li', 'Fe', 'O']
  • Chemical System: Fe-Li-O
  • Density: 4.754642397752441
  • Atomic Density: 0.0889150191679733
  • Unit Cell Volume: 629.8148560729422
  • Molar Volume: 6.772917350018569
  • Full Formula: Li1 Fe23 O32
  • Reduced Formula: LiFe23O32
  • Formula Anonymous: AB23C32
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -445.72349234
  • Final energy per atom: -7.9593480775000005
  • 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.