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  1. Third-Parties
  2. MatprojStructure
  3. mp-1096902

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-1096902
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ba', 'Nb', 'Fe', 'O']
  • Chemical System: Ba-Fe-Nb-O
  • Density: 4.605781579397598
  • Atomic Density: 0.067086552795991
  • Unit Cell Volume: 417.3712738698543
  • Molar Volume: 8.976673430088473
  • Full Formula: Ba2 Nb4 Fe4 O18
  • Reduced Formula: BaNb2Fe2O9
  • Formula Anonymous: AB2C2D9
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -239.17614833
  • Final energy per atom: -8.5420052975
  • 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.