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  1. Third-Parties
  2. MatprojStructure
  3. mp-1096676

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-1096676
  • Created at: Sept. 4, 2022, 2:45 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: ['Zr', 'Cu', 'Au']
  • Chemical System: Au-Cu-Zr
  • Density: 1.216872224156963
  • Atomic Density: 0.007058495945048889
  • Unit Cell Volume: 566.6929656318298
  • Molar Volume: 85.31762016841805
  • Full Formula: Zr1 Cu2 Au1
  • Reduced Formula: ZrCu2Au
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -11.18276303
  • Final energy per atom: -2.7956907575
  • 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.