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  1. Third-Parties
  2. MatprojStructure
  3. mp-753243

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-753243
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'Ni', 'O']
  • Chemical System: Fe-Li-Ni-O
  • Density: 4.37639122889562
  • Atomic Density: 0.11066711367616724
  • Unit Cell Volume: 216.86659390276054
  • Molar Volume: 5.441671477600757
  • Full Formula: Li6 Fe5 Ni1 O12
  • Reduced Formula: Li6Fe5NiO12
  • Formula Anonymous: AB5C6D12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -161.78252744
  • Final energy per atom: -6.740938643333333
  • 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.