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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216203

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-1216203
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['Y', 'Fe', 'C', 'N']
  • Chemical System: C-Fe-N-Y
  • Density: 7.208329740796834
  • Atomic Density: 0.07905010123881659
  • Unit Cell Volume: 265.6543087346257
  • Molar Volume: 7.618131622382922
  • Full Formula: Y2 Fe17 C1 N1
  • Reduced Formula: Y2Fe17CN
  • Formula Anonymous: ABC2D17
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -177.18631822999996
  • Final energy per atom: -8.437443725238094
  • 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.