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  1. Third-Parties
  2. MatprojStructure
  3. mp-726328

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-726328
  • 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: 16
  • Number of elements: 4
  • Element list: ['Fe', 'Cu', 'C', 'N']
  • Chemical System: C-Cu-Fe-N
  • Density: 1.9017350281417889
  • Atomic Density: 0.06037395176232206
  • Unit Cell Volume: 265.014953186901
  • Molar Volume: 9.974733447477053
  • Full Formula: Fe1 Cu1 C6 N8
  • Reduced Formula: FeCu(C3N4)2
  • Formula Anonymous: ABC6D8
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -118.90273589
  • Final energy per atom: -7.431420993125
  • 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.