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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217936

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-1217936
  • 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: 10
  • Number of elements: 4
  • Element list: ['Ta', 'Mn', 'Fe', 'O']
  • Chemical System: Fe-Mn-O-Ta
  • Density: 6.366565681759854
  • Atomic Density: 0.08661250078494466
  • Unit Cell Volume: 115.45677482318166
  • Molar Volume: 6.95296949680824
  • Full Formula: Ta1 Mn2 Fe1 O6
  • Reduced Formula: TaMn2FeO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -92.32690702
  • Final energy per atom: -9.232690702
  • 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.