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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223170

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-1223170
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['La', 'Ti', 'Ni', 'O']
  • Chemical System: La-Ni-O-Ti
  • Density: 5.3420553939032605
  • Atomic Density: 0.08041404208520549
  • Unit Cell Volume: 198.97022441735544
  • Molar Volume: 7.488916865563147
  • Full Formula: La2 Ti3 Ni1 O10
  • Reduced Formula: La2Ti3NiO10
  • Formula Anonymous: AB2C3D10
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -141.41212318
  • Final energy per atom: -8.83825769875
  • 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.