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  1. Third-Parties
  2. MatprojStructure
  3. mp-774837

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-774837
  • 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: 56
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'Ni', 'O']
  • Chemical System: Fe-Li-Ni-O
  • Density: 4.603974799901333
  • Atomic Density: 0.10544826819834348
  • Unit Cell Volume: 531.0660948425109
  • Molar Volume: 5.710990671437698
  • Full Formula: Li8 Fe12 Ni4 O32
  • Reduced Formula: Li2Fe3NiO8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 96
  • Spacegroup Symbol: P4_32_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -380.94607091
  • Final energy per atom: -6.802608409107143
  • 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.