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  1. Third-Parties
  2. MatprojStructure
  3. mp-759849

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-759849
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Zn', 'O']
  • Chemical System: Li-O-Ti-Zn
  • Density: 4.122407629528196
  • Atomic Density: 0.08898090639945593
  • Unit Cell Volume: 606.8717681699204
  • Molar Volume: 6.767902242943237
  • Full Formula: Li4 Ti12 Zn6 O32
  • Reduced Formula: Li2Ti6Zn3O16
  • Formula Anonymous: A2B3C6D16
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -431.44630846
  • Final energy per atom: -7.989746452962963
  • 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.