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  1. Third-Parties
  2. MatprojStructure
  3. mp-542869

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-542869
  • 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: 56
  • Number of elements: 5
  • Element list: ['Cd', 'Fe', 'C', 'N', 'O']
  • Chemical System: C-Cd-Fe-N-O
  • Density: 1.80510864698709
  • Atomic Density: 0.04634964952913982
  • Unit Cell Volume: 1208.20762549225
  • Molar Volume: 12.99285069289231
  • Full Formula: Cd4 Fe4 C20 N24 O4
  • Reduced Formula: CdFeC5N6O
  • Formula Anonymous: ABCD5E6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -427.1437985
  • Final energy per atom: -7.627567830357143
  • 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.