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  1. Third-Parties
  2. MatprojStructure
  3. mp-685339

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-685339
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 195
  • Number of elements: 3
  • Element list: ['Bi', 'Ir', 'O']
  • Chemical System: Bi-Ir-O
  • Density: 10.763148356218336
  • Atomic Density: 0.07701741398429877
  • Unit Cell Volume: 2531.8949301485745
  • Molar Volume: 7.819193671223119
  • Full Formula: Bi36 Ir36 O123
  • Reduced Formula: Bi12Ir12O41
  • Formula Anonymous: A12B12C41
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -1347.38475533
  • Final energy per atom: -6.909665411948718
  • 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.