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  1. Third-Parties
  2. MatprojStructure
  3. mp-541609

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-541609
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Y', 'Ge', 'Ir']
  • Chemical System: Ge-Ir-Y
  • Density: 10.091374875641622
  • Atomic Density: 0.054373900089931176
  • Unit Cell Volume: 367.82353237345853
  • Molar Volume: 11.075425433966922
  • Full Formula: Y4 Ge10 Ir6
  • Reduced Formula: Y2Ge5Ir3
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -139.59058185
  • Final energy per atom: -6.9795290925
  • 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.