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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221426

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-1221426
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 2
  • Element list: ['Mo', 'Ir']
  • Chemical System: Ir-Mo
  • Density: 19.415721716446527
  • Atomic Density: 0.06760125321102273
  • Unit Cell Volume: 73.96312586679568
  • Molar Volume: 8.908327100388812
  • Full Formula: Mo1 Ir4
  • Reduced Formula: MoIr4
  • Formula Anonymous: AB4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -46.54394605
  • Final energy per atom: -9.30878921
  • 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.