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  1. Third-Parties
  2. MatprojStructure
  3. mp-1097436

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-1097436
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Y', 'Zr', 'Au']
  • Chemical System: Au-Y-Zr
  • Density: 0.837176492664833
  • Atomic Density: 0.003512920907231872
  • Unit Cell Volume: 1138.6535893152056
  • Molar Volume: 171.42830479338502
  • Full Formula: Y1 Zr1 Au2
  • Reduced Formula: YZrAu2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -13.7614227
  • Final energy per atom: -3.440355675
  • 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.