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  1. Third-Parties
  2. MatprojStructure
  3. mp-1176604

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-1176604
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Si', 'O']
  • Chemical System: Li-O-Si-Ti
  • Density: 3.4141723547733798
  • Atomic Density: 0.09798033069747511
  • Unit Cell Volume: 857.3149263943506
  • Molar Volume: 6.146275193328355
  • Full Formula: Li12 Ti12 Si12 O48
  • Reduced Formula: LiTiSiO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -677.05428219
  • Final energy per atom: -8.060170026071429
  • 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.