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  1. Third-Parties
  2. MatprojStructure
  3. mp-770448

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-770448
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['La', 'Ti', 'O']
  • Chemical System: La-O-Ti
  • Density: 4.279245379630518
  • Atomic Density: 0.0638094940399316
  • Unit Cell Volume: 877.6123497383561
  • Molar Volume: 9.437687683640588
  • Full Formula: La8 Ti12 O36
  • Reduced Formula: La2Ti3O9
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -516.08403284
  • Final energy per atom: -9.215786300714285
  • 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.