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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205423

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-1205423
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Na', 'Li', 'Ti', 'O']
  • Chemical System: Li-Na-O-Ti
  • Density: 3.4848684762344724
  • Atomic Density: 0.08820038732151876
  • Unit Cell Volume: 544.2152972075346
  • Molar Volume: 6.827794007352099
  • Full Formula: Na4 Li4 Ti12 O28
  • Reduced Formula: NaLiTi3O7
  • Formula Anonymous: ABC3D7
  • Spacegroup Number: 67
  • Spacegroup Symbol: Cmme
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -400.12784215
  • Final energy per atom: -8.335996711458334
  • 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.