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  1. Third-Parties
  2. MatprojStructure
  3. mp-758983

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-758983
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 4
  • Element list: ['Li', 'Fe', 'Ni', 'O']
  • Chemical System: Fe-Li-Ni-O
  • Density: 4.376428127399876
  • Atomic Density: 0.10240186627033032
  • Unit Cell Volume: 322.2597517205733
  • Molar Volume: 5.880889654981651
  • Full Formula: Li6 Fe3 Ni6 O18
  • Reduced Formula: Li2Fe(NiO3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -208.07398869
  • Final energy per atom: -6.305272384545455
  • 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.