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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207857

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-1207857
  • 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: 106
  • Number of elements: 3
  • Element list: ['Y', 'Ta', 'Al']
  • Chemical System: Al-Ta-Y
  • Density: 4.205784742000792
  • Atomic Density: 0.05552894297529025
  • Unit Cell Volume: 1908.9144204882273
  • Molar Volume: 10.845048432994274
  • Full Formula: Y12 Ta8 Al86
  • Reduced Formula: Y6Ta4Al43
  • Formula Anonymous: A4B6C43
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -527.49751555
  • Final energy per atom: -4.976391656132075
  • 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.