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  1. Third-Parties
  2. MatprojStructure
  3. mp-759382

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-759382
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 45
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Nb', 'O']
  • Chemical System: Li-Nb-O-Ti
  • Density: 4.1498777645604905
  • Atomic Density: 0.08111836116243133
  • Unit Cell Volume: 554.744935118845
  • Molar Volume: 7.423893522628338
  • Full Formula: Li2 Ti7 Nb6 O30
  • Reduced Formula: Li2Ti7Nb6O30
  • Formula Anonymous: A2B6C7D30
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -410.81239166
  • Final energy per atom: -9.12916425911111
  • 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.