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  1. Third-Parties
  2. MatprojStructure
  3. mp-772997

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-772997
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 51
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Nb', 'O']
  • Chemical System: Li-Nb-O-Ti
  • Density: 4.166569285764478
  • Atomic Density: 0.08961201109735255
  • Unit Cell Volume: 569.1201366365353
  • Molar Volume: 6.720238376814998
  • Full Formula: Li8 Ti7 Nb6 O30
  • Reduced Formula: Li8Ti7Nb6O30
  • Formula Anonymous: A6B7C8D30
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -432.27076056
  • Final energy per atom: -8.475897265882352
  • 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.