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  1. Third-Parties
  2. MatprojStructure
  3. mp-1187781

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-1187781
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['U', 'Ir', 'O']
  • Chemical System: Ir-O-U
  • Density: 12.322078365730297
  • Atomic Density: 0.07758097679428021
  • Unit Cell Volume: 64.44878895065206
  • Molar Volume: 7.762393577447188
  • Full Formula: U1 Ir1 O3
  • Reduced Formula: UIrO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -42.68643775999999
  • Final energy per atom: -8.537287551999999
  • 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.