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  1. Third-Parties
  2. MatprojStructure
  3. mp-758037

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-758037
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'P', 'O']
  • Chemical System: Li-O-P-Ti
  • Density: 2.7562035687711472
  • Atomic Density: 0.07883992630838475
  • Unit Cell Volume: 532.7250032644085
  • Molar Volume: 7.638440371499352
  • Full Formula: Li2 Ti3 P9 O28
  • Reduced Formula: Li2Ti3P9O28
  • Formula Anonymous: A2B3C9D28
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -329.86704628
  • Final energy per atom: -7.853977292380953
  • 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.