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  1. Third-Parties
  2. MatprojStructure
  3. mp-760462

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-760462
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Si', 'O']
  • Chemical System: Li-O-Si-Ti
  • Density: 2.495540213416989
  • Atomic Density: 0.09014678478076901
  • Unit Cell Volume: 177.48830464570574
  • Molar Volume: 6.680372211438762
  • Full Formula: Li5 Ti1 Si2 O8
  • Reduced Formula: Li5Ti(SiO4)2
  • Formula Anonymous: AB2C5D8
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -113.35230911
  • Final energy per atom: -7.084519319375
  • 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.