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  1. Third-Parties
  2. MatprojStructure
  3. mp-1206985

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-1206985
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ti', 'Fe', 'N']
  • Chemical System: Fe-N-Ti
  • Density: 7.2934510674111275
  • Atomic Density: 0.09572912659655156
  • Unit Cell Volume: 52.23070739036822
  • Molar Volume: 6.2908134379833935
  • Full Formula: Ti1 Fe3 N1
  • Reduced Formula: TiFe3N
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -43.34188988999999
  • Final energy per atom: -8.668377977999999
  • 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.