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  1. Third-Parties
  2. MatprojStructure
  3. mp-9741

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-9741
  • 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: 12
  • Number of elements: 4
  • Element list: ['Na', 'Cd', 'Ir', 'O']
  • Chemical System: Cd-Ir-Na-O
  • Density: 6.199949465505561
  • Atomic Density: 0.0769828172785059
  • Unit Cell Volume: 155.87894057691855
  • Molar Volume: 7.822707680615661
  • Full Formula: Na3 Cd2 Ir1 O6
  • Reduced Formula: Na3Cd2IrO6
  • Formula Anonymous: AB2C3D6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -62.84104117
  • Final energy per atom: -5.236753430833333
  • 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.