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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221230

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-1221230
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Na', 'La', 'Ti', 'Nb', 'O']
  • Chemical System: La-Na-Nb-O-Ti
  • Density: 4.591703160631864
  • Atomic Density: 0.08116026104960149
  • Unit Cell Volume: 246.42601861244512
  • Molar Volume: 7.420060855052623
  • Full Formula: Na3 La1 Ti2 Nb2 O12
  • Reduced Formula: Na3LaTi2Nb2O12
  • Formula Anonymous: AB2C2D3E12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -166.81278118
  • Final energy per atom: -8.340639059
  • 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.