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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228554

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-1228554
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Al', 'Ni', 'Pd']
  • Chemical System: Al-Ni-Pd
  • Density: 8.182960900237527
  • Atomic Density: 0.08587379845934194
  • Unit Cell Volume: 139.7399464713507
  • Molar Volume: 7.012780228711159
  • Full Formula: Al2 Ni9 Pd1
  • Reduced Formula: Al2Ni9Pd
  • Formula Anonymous: AB2C9
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -67.9036092
  • Final energy per atom: -5.6586341000000004
  • 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.