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  1. Third-Parties
  2. MatprojStructure
  3. mp-557783

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-557783
  • 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: 21
  • Number of elements: 3
  • Element list: ['Y', 'Fe', 'O']
  • Chemical System: Fe-O-Y
  • Density: 4.816231410163871
  • Atomic Density: 0.07673212033908741
  • Unit Cell Volume: 273.6793914621252
  • Molar Volume: 7.8482658023621905
  • Full Formula: Y3 Fe6 O12
  • Reduced Formula: Y(FeO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -180.07272257000002
  • Final energy per atom: -8.574891550952382
  • 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.