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  1. Third-Parties
  2. MatprojStructure
  3. mp-676077

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-676077
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ce', 'Nd', 'O']
  • Chemical System: Ce-Nd-O
  • Density: 6.674405246970445
  • Atomic Density: 0.06598280478188694
  • Unit Cell Volume: 212.17649122795652
  • Molar Volume: 9.126833543840425
  • Full Formula: Ce3 Nd2 O9
  • Reduced Formula: Ce3Nd2O9
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -125.37788522
  • Final energy per atom: -8.95556323
  • 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.