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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225773

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-1225773
  • 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: 29
  • Number of elements: 4
  • Element list: ['Fe', 'Cu', 'C', 'N']
  • Chemical System: C-Cu-Fe-N
  • Density: 1.7224599308618929
  • Atomic Density: 0.048949711174359346
  • Unit Cell Volume: 592.4447622724824
  • Molar Volume: 12.302709485964229
  • Full Formula: Fe2 Cu3 C12 N12
  • Reduced Formula: Fe2Cu3(CN)12
  • Formula Anonymous: A2B3C12D12
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -221.55354622
  • Final energy per atom: -7.639777455862069
  • 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.