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  1. Third-Parties
  2. MatprojStructure
  3. mp-778149

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-778149
  • 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: 92
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'P', 'O']
  • Chemical System: Li-O-P-Ti
  • Density: 2.5485703961014354
  • Atomic Density: 0.07870519319123195
  • Unit Cell Volume: 1168.9190543813968
  • Molar Volume: 7.651516394055289
  • Full Formula: Li12 Ti6 P16 O58
  • Reduced Formula: Li6Ti3P8O29
  • Formula Anonymous: A3B6C8D29
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -708.0843685
  • Final energy per atom: -7.696569222826087
  • 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.