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  1. Third-Parties
  2. MatprojStructure
  3. mp-1364639

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-1364639
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Ti', 'Al', 'Si', 'O']
  • Chemical System: Al-O-Si-Ti
  • Density: 3.96051531923379
  • Atomic Density: 0.10067584365705638
  • Unit Cell Volume: 794.6295466121261
  • Molar Volume: 5.981713727191505
  • Full Formula: Ti12 Al8 Si12 O48
  • Reduced Formula: Ti3Al2(SiO4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -667.28775725
  • Final energy per atom: -8.341096965625
  • 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.