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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222588

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-1222588
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Mg', 'Ni', 'Pd']
  • Chemical System: Mg-Ni-Pd
  • Density: 3.755855007342397
  • Atomic Density: 0.056908486731501715
  • Unit Cell Volume: 632.5945753899688
  • Molar Volume: 10.582148825030066
  • Full Formula: Mg24 Ni9 Pd3
  • Reduced Formula: Mg8Ni3Pd
  • Formula Anonymous: AB3C8
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -115.31935485
  • Final energy per atom: -3.2033154125
  • 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.