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  1. Third-Parties
  2. MatprojStructure
  3. mp-759197

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-759197
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'Ni', 'O']
  • Chemical System: Fe-Li-Ni-O
  • Density: 4.680695988472725
  • Atomic Density: 0.1116230719154142
  • Unit Cell Volume: 340.4314121438592
  • Molar Volume: 5.395068113304982
  • Full Formula: Li8 Fe1 Ni9 O20
  • Reduced Formula: Li8FeNi9O20
  • Formula Anonymous: AB8C9D20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -228.64845369
  • Final energy per atom: -6.017064570789474
  • 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.