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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219939

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-1219939
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Pd', 'Pb', 'Au']
  • Chemical System: Au-Pb-Pd
  • Density: 12.3568729692114
  • Atomic Density: 0.03943598896362445
  • Unit Cell Volume: 152.14529057542765
  • Molar Volume: 15.270672596938779
  • Full Formula: Pd1 Pb4 Au1
  • Reduced Formula: PdPb4Au
  • Formula Anonymous: ABC4
  • Spacegroup Number: 97
  • Spacegroup Symbol: I422
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -24.09747627
  • Final energy per atom: -4.016246045
  • 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.