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  1. Third-Parties
  2. MatprojStructure
  3. mp-22711

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-22711
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Gd', 'Al', 'Au']
  • Chemical System: Al-Au-Gd
  • Density: 7.718379108112566
  • Atomic Density: 0.05456581070817181
  • Unit Cell Volume: 403.18286697251006
  • Molar Volume: 11.036472622403686
  • Full Formula: Gd2 Al14 Au6
  • Reduced Formula: GdAl7Au3
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -111.55372677
  • Final energy per atom: -5.070623944090909
  • 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.