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  1. Third-Parties
  2. MatprojStructure
  3. mp-771187

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-771187
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 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: 2.9737127406409885
  • Atomic Density: 0.08551062063652859
  • Unit Cell Volume: 467.77815085711967
  • Molar Volume: 7.042564672285223
  • Full Formula: Li6 Fe3 Ni1 P6 O24
  • Reduced Formula: Li6Fe3Ni(PO4)6
  • Formula Anonymous: AB3C6D6E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -290.30039333
  • Final energy per atom: -7.25750983325
  • 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.