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  1. Third-Parties
  2. MatprojStructure
  3. mp-766091

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-766091
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 43
  • Number of elements: 5
  • Element list: ['Li', 'La', 'Ti', 'Nb', 'O']
  • Chemical System: La-Li-Nb-O-Ti
  • Density: 5.134061174689993
  • Atomic Density: 0.0825099925791845
  • Unit Cell Volume: 521.1489985135204
  • Molar Volume: 7.298680525538258
  • Full Formula: Li4 La5 Ti6 Nb2 O26
  • Reduced Formula: Li4La5Ti6Nb2O26
  • Formula Anonymous: A2B4C5D6E26
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -376.02439882
  • Final energy per atom: -8.744753460930232
  • 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.