Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1176566

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-1176566
  • 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: 28
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Si', 'O']
  • Chemical System: Li-O-Si-Ti
  • Density: 3.635656896975306
  • Atomic Density: 0.10433652084674601
  • Unit Cell Volume: 268.3624082225974
  • Molar Volume: 5.771843560746653
  • Full Formula: Li4 Ti4 Si4 O16
  • Reduced Formula: LiTiSiO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 95
  • Spacegroup Symbol: P4_322
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -225.38669733
  • Final energy per atom: -8.049524904642857
  • 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.