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  1. Third-Parties
  2. MatprojStructure
  3. mp-22102

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-22102
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 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: 3.1426272470555663
  • Atomic Density: 0.07750234477861435
  • Unit Cell Volume: 283.86237942662325
  • Molar Volume: 7.770269115343879
  • Full Formula: Na3 Ir1 N6 O12
  • Reduced Formula: Na3Ir(NO2)6
  • Formula Anonymous: AB3C6D12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -146.25333157
  • Final energy per atom: -6.647878707727273
  • 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.