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  1. Third-Parties
  2. MatprojStructure
  3. mp-850397

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-850397
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Li', 'Cr', 'Fe', 'O']
  • Chemical System: Cr-Fe-Li-O
  • Density: 4.451785582479599
  • Atomic Density: 0.10226202567055881
  • Unit Cell Volume: 449.8248464996267
  • Molar Volume: 5.888931615143793
  • Full Formula: Li8 Cr4 Fe10 O24
  • Reduced Formula: Li4Cr2Fe5O12
  • Formula Anonymous: A2B4C5D12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -347.22104051
  • Final energy per atom: -7.548283489347827
  • 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.