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  1. Third-Parties
  2. MatprojStructure
  3. mp-765243

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-765243
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Si', 'O']
  • Chemical System: Li-O-Si-Ti
  • Density: 2.9602650294459223
  • Atomic Density: 0.09238267347636338
  • Unit Cell Volume: 995.8577354176562
  • Molar Volume: 6.518690716978219
  • Full Formula: Li16 Ti8 Si16 O52
  • Reduced Formula: Li4Ti2Si4O13
  • Formula Anonymous: A2B4C4D13
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -714.2741234
  • Final energy per atom: -7.763849167391305
  • 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.