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  1. Third-Parties
  2. MatprojStructure
  3. mp-726216

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-726216
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Na', 'Ir', 'N', 'O']
  • Chemical System: Ir-N-Na-O
  • Density: 2.9591705198262868
  • Atomic Density: 0.07550303670756686
  • Unit Cell Volume: 291.3790088365436
  • Molar Volume: 7.976024571467951
  • Full Formula: Na1 Ir1 N8 O12
  • Reduced Formula: NaIr(N2O3)4
  • Formula Anonymous: ABC8D12
  • Spacegroup Number: 202
  • Spacegroup Symbol: Fm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -140.83505729
  • Final energy per atom: -6.401593513181819
  • 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.