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  1. Third-Parties
  2. MatprojStructure
  3. mp-1261252

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-1261252
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Ti', 'Al', 'O']
  • Chemical System: Al-O-Ti
  • Density: 3.9455943336083346
  • Atomic Density: 0.09987668443031267
  • Unit Cell Volume: 220.27162921442533
  • Molar Volume: 6.02957616619908
  • Full Formula: Ti4 Al4 O14
  • Reduced Formula: Ti2Al2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -180.62568806
  • Final energy per atom: -8.210258548181818
  • 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.