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  1. Third-Parties
  2. MatprojStructure
  3. mp-28698

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-28698
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Na', 'Ir', 'O']
  • Chemical System: Ir-Na-O
  • Density: 4.661406224936351
  • Atomic Density: 0.07256286632926462
  • Unit Cell Volume: 124.03038158885819
  • Molar Volume: 8.299204627162405
  • Full Formula: Na4 Ir1 O4
  • Reduced Formula: Na4IrO4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -48.09452866
  • Final energy per atom: -5.343836517777778
  • 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.