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  1. Third-Parties
  2. MatprojStructure
  3. mp-776215

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-776215
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Nb', 'O']
  • Chemical System: Li-Nb-O-Ti
  • Density: 4.009100704952466
  • Atomic Density: 0.08932900036363897
  • Unit Cell Volume: 626.89607822808
  • Molar Volume: 6.7415293303240515
  • Full Formula: Li8 Ti12 Nb4 O32
  • Reduced Formula: Li2Ti3NbO8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 212
  • Spacegroup Symbol: P4_332
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -481.68378557
  • Final energy per atom: -8.601496170892856
  • 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.