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  1. Third-Parties
  2. MatprojStructure
  3. mp-757457

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-757457
  • 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: 26
  • Number of elements: 3
  • Element list: ['La', 'Nb', 'O']
  • Chemical System: La-Nb-O
  • Density: 4.895830528000985
  • Atomic Density: 0.06824623175370131
  • Unit Cell Volume: 380.9734154089745
  • Molar Volume: 8.824136666964607
  • Full Formula: La2 Nb6 O18
  • Reduced Formula: LaNb3O9
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -243.90569653
  • Final energy per atom: -9.380988328076922
  • 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.