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  1. Third-Parties
  2. MatprojStructure
  3. mp-31253

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-31253
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 2
  • Element list: ['Ga', 'Ir']
  • Chemical System: Ga-Ir
  • Density: 11.604953595354269
  • Atomic Density: 0.06321476687659718
  • Unit Cell Volume: 284.74359535546756
  • Molar Volume: 9.526477842995044
  • Full Formula: Ga12 Ir6
  • Reduced Formula: Ga2Ir
  • Formula Anonymous: AB2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -97.48344711
  • Final energy per atom: -5.415747061666667
  • 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.