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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212680

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-1212680
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 2
  • Element list: ['Ga', 'Ir']
  • Chemical System: Ga-Ir
  • Density: 12.329725592485856
  • Atomic Density: 0.06419891626908059
  • Unit Cell Volume: 498.450781721557
  • Molar Volume: 9.380439904560161
  • Full Formula: Ga20 Ir12
  • Reduced Formula: Ga5Ir3
  • Formula Anonymous: A3B5
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -182.0629452
  • Final energy per atom: -5.6894670375
  • 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.