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  1. Third-Parties
  2. MatprojStructure
  3. mp-580930

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-580930
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Y', 'Ge', 'Ir']
  • Chemical System: Ge-Ir-Y
  • Density: 9.158261314620836
  • Atomic Density: 0.051737307827627116
  • Unit Cell Volume: 309.2545915474981
  • Molar Volume: 11.639841756095871
  • Full Formula: Y4 Ge8 Ir4
  • Reduced Formula: YGe2Ir
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -111.09474757
  • Final energy per atom: -6.943421723125
  • 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.