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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207858

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-1207858
  • 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: 106
  • Number of elements: 3
  • Element list: ['Y', 'Ti', 'Al']
  • Chemical System: Al-Ti-Y
  • Density: 3.2895326306883566
  • Atomic Density: 0.055696056201803394
  • Unit Cell Volume: 1903.186818397526
  • Molar Volume: 10.812508408458923
  • Full Formula: Y12 Ti8 Al86
  • Reduced Formula: Y6Ti4Al43
  • Formula Anonymous: A4B6C43
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -499.34618058
  • Final energy per atom: -4.710813024339623
  • 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.