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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194178

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-1194178
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 3
  • Element list: ['Ti', 'Al', 'Pd']
  • Chemical System: Al-Pd-Ti
  • Density: 5.339316573549398
  • Atomic Density: 0.06369993633119743
  • Unit Cell Volume: 455.259481724114
  • Molar Volume: 9.453919590576765
  • Full Formula: Ti6 Al16 Pd7
  • Reduced Formula: Ti6Al16Pd7
  • Formula Anonymous: A6B7C16
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -162.10061688
  • Final energy per atom: -5.589676444137931
  • 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.