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  1. Third-Parties
  2. MatprojStructure
  3. mp-770194

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-770194
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'B', 'O']
  • Chemical System: B-Li-O-Ti
  • Density: 2.6744448151652547
  • Atomic Density: 0.10373692095907557
  • Unit Cell Volume: 462.7089329066948
  • Molar Volume: 5.805204843486484
  • Full Formula: Li12 Ti4 B8 O24
  • Reduced Formula: Li3Ti(BO3)2
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -359.35613969
  • Final energy per atom: -7.486586243541667
  • 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.