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  1. Third-Parties
  2. MatprojStructure
  3. mp-6119

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-6119
  • 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: 17
  • Number of elements: 4
  • Element list: ['Na', 'Nd', 'Ti', 'O']
  • Chemical System: Na-Nd-O-Ti
  • Density: 4.966296091670517
  • Atomic Density: 0.0796841433015027
  • Unit Cell Volume: 213.3423200106038
  • Molar Volume: 7.55751459511071
  • Full Formula: Na2 Nd2 Ti3 O10
  • Reduced Formula: Na2Nd2Ti3O10
  • Formula Anonymous: A2B2C3D10
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -142.49490984
  • Final energy per atom: -8.38205352
  • 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.