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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104768

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-1104768
  • 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: 15
  • Number of elements: 4
  • Element list: ['Ir', 'N', 'Cl', 'O']
  • Chemical System: Cl-Ir-N-O
  • Density: 2.3387741870595
  • Atomic Density: 0.05009716565209405
  • Unit Cell Volume: 299.4181368297231
  • Molar Volume: 12.020921107236886
  • Full Formula: Ir1 N7 Cl1 O6
  • Reduced Formula: IrN7ClO6
  • Formula Anonymous: ABC6D7
  • Spacegroup Number: 79
  • Spacegroup Symbol: I4
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -85.72342329
  • Final energy per atom: -5.714894886
  • 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.