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  1. Third-Parties
  2. MatprojStructure
  3. mp-757325

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-757325
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'P', 'O']
  • Chemical System: Li-O-P-Ti
  • Density: 3.008247514126324
  • Atomic Density: 0.09806387055703396
  • Unit Cell Volume: 285.52819546027604
  • Molar Volume: 6.1410392286091975
  • Full Formula: Li6 Ti2 P4 O16
  • Reduced Formula: Li3Ti(PO4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -206.70631882
  • Final energy per atom: -7.382368529285714
  • 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.