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  1. Third-Parties
  2. MatprojStructure
  3. mp-16626

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-16626
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Sm', 'Al', 'Au']
  • Chemical System: Al-Au-Sm
  • Density: 7.616913613882642
  • Atomic Density: 0.05424737688721616
  • Unit Cell Volume: 405.54956317499807
  • Molar Volume: 11.10125706634705
  • Full Formula: Sm2 Al14 Au6
  • Reduced Formula: SmAl7Au3
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -92.96229321
  • Final energy per atom: -4.225558782272727
  • 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.