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  1. Third-Parties
  2. MatprojStructure
  3. mp-861559

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-861559
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Ta', 'Fe', 'O']
  • Chemical System: Fe-O-Ta
  • Density: 7.237528677861396
  • Atomic Density: 0.08694174722753235
  • Unit Cell Volume: 414.070353403246
  • Molar Volume: 6.926638757603589
  • Full Formula: Ta6 Fe6 O24
  • Reduced Formula: TaFeO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 109
  • Spacegroup Symbol: I4_1md
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -335.82950335
  • Final energy per atom: -9.328597315277777
  • 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.