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  1. Third-Parties
  2. MatprojStructure
  3. mp-780776

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-780776
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 5
  • Element list: ['Li', 'Fe', 'Ni', 'P', 'O']
  • Chemical System: Fe-Li-Ni-O-P
  • Density: 2.9043699484355985
  • Atomic Density: 0.08081746947154866
  • Unit Cell Volume: 940.3907409740832
  • Molar Volume: 7.451533436245564
  • Full Formula: Li8 Fe7 Ni1 P12 O48
  • Reduced Formula: Li8Fe7Ni(PO4)12
  • Formula Anonymous: AB7C8D12E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -563.1724375
  • Final energy per atom: -7.41016365131579
  • 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.