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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216011

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-1216011
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Y', 'Ti', 'Fe', 'N']
  • Chemical System: Fe-N-Ti-Y
  • Density: 7.1748852979125335
  • Atomic Density: 0.07906606866238314
  • Unit Cell Volume: 177.06710649521276
  • Molar Volume: 7.616593137714868
  • Full Formula: Y1 Ti1 Fe11 N1
  • Reduced Formula: YTiFe11N
  • Formula Anonymous: ABCD11
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -118.69565518
  • Final energy per atom: -8.478261084285714
  • 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.