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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220731

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-1220731
  • 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: 11
  • Number of elements: 4
  • Element list: ['Na', 'La', 'Nb', 'O']
  • Chemical System: La-Na-Nb-O
  • Density: 4.559879702244951
  • Atomic Density: 0.06570809554955398
  • Unit Cell Volume: 167.4070737859738
  • Molar Volume: 9.164990568716732
  • Full Formula: Na1 La1 Nb2 O7
  • Reduced Formula: NaLaNb2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -96.03300035
  • Final energy per atom: -8.730272759090909
  • 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.