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  1. Third-Parties
  2. MatprojStructure
  3. mp-6514

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-6514
  • 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: 14
  • Number of elements: 4
  • Element list: ['Na', 'La', 'Ti', 'O']
  • Chemical System: La-Na-O-Ti
  • Density: 4.795747223047702
  • Atomic Density: 0.07384744759770902
  • Unit Cell Volume: 189.58001197639666
  • Molar Volume: 8.154839410031046
  • Full Formula: Na2 La2 Ti2 O8
  • Reduced Formula: NaLaTiO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -115.13973584
  • Final energy per atom: -8.224266845714286
  • 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.