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  1. Third-Parties
  2. MatprojStructure
  3. mp-1022731

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-1022731
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Ba', 'Nb', 'Fe', 'O']
  • Chemical System: Ba-Fe-Nb-O
  • Density: 4.60325250671299
  • Atomic Density: 0.06704971501607114
  • Unit Cell Volume: 208.80029089824382
  • Molar Volume: 8.981605303701222
  • Full Formula: Ba1 Nb2 Fe2 O9
  • Reduced Formula: BaNb2Fe2O9
  • Formula Anonymous: AB2C2D9
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -119.66494719
  • Final energy per atom: -8.547496227857144
  • 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.