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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224715

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-1224715
  • 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: 8
  • Number of elements: 3
  • Element list: ['Fe', 'Pd', 'Au']
  • Chemical System: Au-Fe-Pd
  • Density: 13.717255164246517
  • Atomic Density: 0.06467271333746284
  • Unit Cell Volume: 123.69977363182403
  • Molar Volume: 9.31171810988726
  • Full Formula: Fe2 Pd3 Au3
  • Reduced Formula: Fe2(PdAu)3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -42.31211837
  • Final energy per atom: -5.28901479625
  • 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.