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  1. Third-Parties
  2. MatprojStructure
  3. mp-777338

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-777338
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Li', 'Ni', 'P', 'O']
  • Chemical System: Li-Ni-O-P
  • Density: 3.133481342565095
  • Atomic Density: 0.09499776985754438
  • Unit Cell Volume: 926.3375354175365
  • Molar Volume: 6.339244351768057
  • Full Formula: Li20 Ni8 P12 O48
  • Reduced Formula: Li5Ni2(PO4)3
  • Formula Anonymous: A2B3C5D12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -604.00044867
  • Final energy per atom: -6.863641462159091
  • 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.