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  1. Third-Parties
  2. MatprojStructure
  3. mp-16625

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-16625
  • 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: 22
  • Number of elements: 3
  • Element list: ['Yb', 'Al', 'Au']
  • Chemical System: Al-Au-Yb
  • Density: 7.828479391923644
  • Atomic Density: 0.05442700996396743
  • Unit Cell Volume: 404.21107120462364
  • Molar Volume: 11.064618034293757
  • Full Formula: Yb2 Al14 Au6
  • Reduced Formula: YbAl7Au3
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -85.56485241
  • Final energy per atom: -3.8893114731818184
  • 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.