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  1. Third-Parties
  2. MatprojStructure
  3. mp-754222

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-754222
  • 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: 24
  • Number of elements: 3
  • Element list: ['Nb', 'Fe', 'O']
  • Chemical System: Fe-Nb-O
  • Density: 4.308216485312016
  • Atomic Density: 0.07316985334002739
  • Unit Cell Volume: 328.0039374750374
  • Molar Volume: 8.23035783878714
  • Full Formula: Nb4 Fe4 O16
  • Reduced Formula: NbFeO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 95
  • Spacegroup Symbol: P4_322
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -210.62840263
  • Final energy per atom: -8.776183442916667
  • 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.