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  1. Third-Parties
  2. MatprojStructure
  3. mp-826679

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-826679
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'Cr', 'O']
  • Chemical System: Cr-Li-Mn-O
  • Density: 3.9216376402098643
  • Atomic Density: 0.1074557258994354
  • Unit Cell Volume: 632.8187672720127
  • Molar Volume: 5.604299547179031
  • Full Formula: Li20 Mn4 Cr12 O32
  • Reduced Formula: Li5MnCr3O8
  • Formula Anonymous: AB3C5D8
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -501.9083443100001
  • Final energy per atom: -7.381005063382354
  • 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.