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  1. Third-Parties
  2. MatprojStructure
  3. mp-767384

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-767384
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 4
  • Element list: ['Ba', 'Li', 'Ti', 'O']
  • Chemical System: Ba-Li-O-Ti
  • Density: 4.249563981911878
  • Atomic Density: 0.08157550514384196
  • Unit Cell Volume: 465.82610715060434
  • Molar Volume: 7.382290491957321
  • Full Formula: Ba2 Li1 Ti11 O24
  • Reduced Formula: Ba2LiTi11O24
  • Formula Anonymous: AB2C11D24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -342.74501726
  • Final energy per atom: -9.019605717368421
  • 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.