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  1. Third-Parties
  2. MatprojStructure
  3. mp-773055

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-773055
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Li', 'Mg', 'Ti', 'O']
  • Chemical System: Li-Mg-O-Ti
  • Density: 3.475248261998597
  • Atomic Density: 0.0920031699027293
  • Unit Cell Volume: 608.6746800051152
  • Molar Volume: 6.545579642926359
  • Full Formula: Li6 Mg6 Ti12 O32
  • Reduced Formula: Li3Mg3Ti6O16
  • Formula Anonymous: A3B3C6D16
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -455.6270965000001
  • Final energy per atom: -8.136198151785717
  • 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.