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  1. Third-Parties
  2. MatprojStructure
  3. mp-558713

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-558713
  • 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: 21
  • Number of elements: 4
  • Element list: ['Li', 'Al', 'Si', 'O']
  • Chemical System: Al-Li-O-Si
  • Density: 2.2818816769420787
  • Atomic Density: 0.0763399873969707
  • Unit Cell Volume: 275.08519081617396
  • Molar Volume: 7.888579714697422
  • Full Formula: Li3 Al3 Si3 O12
  • Reduced Formula: LiAlSiO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 180
  • Spacegroup Symbol: P6_222
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -159.62542839
  • Final energy per atom: -7.601210875714285
  • 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.