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  1. Third-Parties
  2. MatprojStructure
  3. mp-1177654

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-1177654
  • 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: 28
  • Number of elements: 4
  • Element list: ['Li', 'Mg', 'Ti', 'O']
  • Chemical System: Li-Mg-O-Ti
  • Density: 3.7041995529901603
  • Atomic Density: 0.09130880692097766
  • Unit Cell Volume: 306.6516905015782
  • Molar Volume: 6.595355873187353
  • Full Formula: Li3 Mg1 Ti8 O16
  • Reduced Formula: Li3MgTi8O16
  • Formula Anonymous: AB3C8D16
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -239.54953322
  • Final energy per atom: -8.555340472142857
  • 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.