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  1. Third-Parties
  2. MatprojStructure
  3. mp-771232

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-771232
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Li', 'Mn', 'Ni', 'O']
  • Chemical System: Li-Mn-Ni-O
  • Density: 4.972845341989812
  • Atomic Density: 0.11407707066449768
  • Unit Cell Volume: 210.38408384963134
  • Molar Volume: 5.279010694192177
  • Full Formula: Li5 Mn2 Ni5 O12
  • Reduced Formula: Li5Mn2Ni5O12
  • Formula Anonymous: A2B5C5D12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -157.42212206
  • Final energy per atom: -6.559255085833333
  • 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.