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  1. Third-Parties
  2. MatprojStructure
  3. mp-6172

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-6172
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Al', 'Fe', 'Si', 'O']
  • Chemical System: Al-Fe-O-Si
  • Density: 4.1646720498331495
  • Atomic Density: 0.10077498128904315
  • Unit Cell Volume: 793.8478278705279
  • Molar Volume: 5.975829201820713
  • Full Formula: Al8 Fe12 Si12 O48
  • Reduced Formula: Al2Fe3(SiO4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -657.00920926
  • Final energy per atom: -8.212615115750001
  • 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.