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  1. Third-Parties
  2. MatprojStructure
  3. mp-997586

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-997586
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['La', 'Y', 'Al', 'O']
  • Chemical System: Al-La-O-Y
  • Density: 6.278462869225312
  • Atomic Density: 0.09104857209260464
  • Unit Cell Volume: 439.32594526926107
  • Molar Volume: 6.614206704828867
  • Full Formula: La7 Y1 Al8 O24
  • Reduced Formula: La7YAl8O24
  • Formula Anonymous: AB7C8D24
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -337.69981377
  • Final energy per atom: -8.44249534425
  • 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.