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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221512

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-1221512
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Mo', 'Ir', 'C']
  • Chemical System: C-Ir-Mo
  • Density: 14.403973951494429
  • Atomic Density: 0.07372014014476129
  • Unit Cell Volume: 67.82407073808731
  • Molar Volume: 8.16892201801918
  • Full Formula: Mo2 Ir2 C1
  • Reduced Formula: Mo2Ir2C
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -46.34967167
  • Final energy per atom: -9.269934334
  • 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.