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  1. Third-Parties
  2. MatprojStructure
  3. mp-774524

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-774524
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Li', 'La', 'Ti', 'Nb', 'O']
  • Chemical System: La-Li-Nb-O-Ti
  • Density: 5.111078569080102
  • Atomic Density: 0.08057749540749228
  • Unit Cell Volume: 1042.4746956355445
  • Molar Volume: 7.47372542363739
  • Full Formula: Li6 La10 Ti12 Nb4 O52
  • Reduced Formula: Li3La5Ti6Nb2O26
  • Formula Anonymous: A2B3C5D6E26
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -744.16527879
  • Final energy per atom: -8.859110461785715
  • 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.