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  1. Third-Parties
  2. MatprojStructure
  3. mp-850006

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-850006
  • 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: 168
  • Number of elements: 4
  • Element list: ['Li', 'Ni', 'P', 'O']
  • Chemical System: Li-Ni-O-P
  • Density: 3.5063919483276216
  • Atomic Density: 0.09203399636371562
  • Unit Cell Volume: 1825.4124197331278
  • Molar Volume: 6.543387224217319
  • Full Formula: Li24 Ni24 P24 O96
  • Reduced Formula: LiNiPO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 169
  • Spacegroup Symbol: P6_1
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -1167.93214716
  • Final energy per atom: -6.951977066428572
  • 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.