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  1. Third-Parties
  2. MatprojStructure
  3. mp-975596

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-975596
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Pu', 'Ir', 'O']
  • Chemical System: Ir-O-Pu
  • Density: 11.377682787854042
  • Atomic Density: 0.07075160723451537
  • Unit Cell Volume: 70.66977267988912
  • Molar Volume: 8.511666371109895
  • Full Formula: Pu1 Ir1 O3
  • Reduced Formula: PuIrO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -43.80612632
  • Final energy per atom: -8.761225264
  • 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.