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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225621

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-1225621
  • 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: ['Dy', 'Ti', 'Fe', 'N']
  • Chemical System: Dy-Fe-N-Ti
  • Density: 7.873070737561427
  • Atomic Density: 0.0791466717381768
  • Unit Cell Volume: 176.88678111839073
  • Molar Volume: 7.608836389130424
  • Full Formula: Dy1 Ti1 Fe11 N1
  • Reduced Formula: DyTiFe11N
  • Formula Anonymous: ABCD11
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -116.87809958
  • Final energy per atom: -8.348435684285715
  • 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.