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  1. Third-Parties
  2. MatprojStructure
  3. mp-767392

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-767392
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 49
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Nb', 'O']
  • Chemical System: Li-Nb-O-Ti
  • Density: 4.004384558034862
  • Atomic Density: 0.08896703699018531
  • Unit Cell Volume: 550.7657853706603
  • Molar Volume: 6.768957316926664
  • Full Formula: Li7 Ti7 Nb5 O30
  • Reduced Formula: Li7Ti7Nb5O30
  • Formula Anonymous: A5B7C7D30
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -418.78740619
  • Final energy per atom: -8.546681758979592
  • 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.