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  1. Third-Parties
  2. MatprojStructure
  3. mp-776880

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-776880
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Li', 'Fe', 'Ni', 'P', 'O']
  • Chemical System: Fe-Li-Ni-O-P
  • Density: 3.410223694034009
  • Atomic Density: 0.08754367029447264
  • Unit Cell Volume: 456.9148159478702
  • Molar Volume: 6.879013342418919
  • Full Formula: Li4 Fe4 Ni2 P6 O24
  • Reduced Formula: Li2Fe2Ni(PO4)3
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -297.58404706
  • Final energy per atom: -7.4396011765
  • 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.