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  1. Third-Parties
  2. MatprojStructure
  3. mp-754122

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-754122
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Li', 'Ni', 'P', 'O']
  • Chemical System: Li-Ni-O-P
  • Density: 3.3466197038573995
  • Atomic Density: 0.08784037557536978
  • Unit Cell Volume: 159.380010710309
  • Molar Volume: 6.855777563055632
  • Full Formula: Li2 Ni2 P2 O8
  • Reduced Formula: LiNiPO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -98.12352119
  • Final energy per atom: -7.008822942142857
  • 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.