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  1. Third-Parties
  2. MatprojStructure
  3. mp-530141

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-530141
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 55
  • Number of elements: 3
  • Element list: ['Li', 'Ti', 'O']
  • Chemical System: Li-O-Ti
  • Density: 3.6328828581456696
  • Atomic Density: 0.09071465262990186
  • Unit Cell Volume: 606.2967602862275
  • Molar Volume: 6.638553514137527
  • Full Formula: Li7 Ti16 O32
  • Reduced Formula: Li7Ti16O32
  • Formula Anonymous: A7B16C32
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -477.77558233
  • Final energy per atom: -8.686828769636364
  • 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.