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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199768

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-1199768
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Er', 'Fe', 'C', 'N', 'O']
  • Chemical System: C-Er-Fe-N-O
  • Density: 2.29498456849594
  • Atomic Density: 0.056130323625843984
  • Unit Cell Volume: 641.3645543890038
  • Molar Volume: 10.728854513903492
  • Full Formula: Er2 Fe2 C12 N12 O8
  • Reduced Formula: ErFeC6(N3O2)2
  • Formula Anonymous: ABC4D6E6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -269.82173368
  • Final energy per atom: -7.495048157777778
  • 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.