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  1. Third-Parties
  2. MatprojStructure
  3. mp-697332

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-697332
  • 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: 159
  • Number of elements: 5
  • Element list: ['La', 'Ti', 'Al', 'Cu', 'O']
  • Chemical System: Al-Cu-La-O-Ti
  • Density: 5.452012853732166
  • Atomic Density: 0.09559968692128466
  • Unit Cell Volume: 1663.1853630537325
  • Molar Volume: 6.299331047975649
  • Full Formula: La7 Ti27 Al5 Cu24 O96
  • Reduced Formula: La7Ti27Al5(CuO4)24
  • Formula Anonymous: A5B7C24D27E96
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1272.4773477
  • Final energy per atom: -8.003002186792454
  • 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.