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  1. Third-Parties
  2. MatprojStructure
  3. mp-555471

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-555471
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 4
  • Element list: ['La', 'Ti', 'Al', 'O']
  • Chemical System: Al-La-O-Ti
  • Density: 4.2656973253594455
  • Atomic Density: 0.09325764028664144
  • Unit Cell Volume: 1286.757842372613
  • Molar Volume: 6.457530709001472
  • Full Formula: La6 Ti10 Al30 O74
  • Reduced Formula: La3Ti5Al15O37
  • Formula Anonymous: A3B5C15D37
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -996.2191219899998
  • Final energy per atom: -8.301826016583332
  • 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.