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  1. Third-Parties
  2. MatprojStructure
  3. mp-1337025

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-1337025
  • 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: 19
  • Number of elements: 3
  • Element list: ['Ti', 'Fe', 'O']
  • Chemical System: Fe-O-Ti
  • Density: 4.371326101097343
  • Atomic Density: 0.0907756612405361
  • Unit Cell Volume: 209.30720570191235
  • Molar Volume: 6.634091867469425
  • Full Formula: Ti4 Fe3 O12
  • Reduced Formula: Ti4(FeO4)3
  • Formula Anonymous: A3B4C12
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -166.87689299
  • Final energy per atom: -8.782994367894736
  • 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.