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  1. Third-Parties
  2. MatprojStructure
  3. mp-20529

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-20529
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Ba', 'Na', 'Ir', 'O']
  • Chemical System: Ba-Ir-Na-O
  • Density: 6.980498281962434
  • Atomic Density: 0.06545189552313098
  • Unit Cell Volume: 458.35188973859243
  • Molar Volume: 9.200865325392677
  • Full Formula: Ba6 Na2 Ir4 O18
  • Reduced Formula: Ba3NaIr2O9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -203.01535215
  • Final energy per atom: -6.767178405
  • 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.