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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204502

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-1204502
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 3
  • Element list: ['Pr', 'Ti', 'Al']
  • Chemical System: Al-Pr-Ti
  • Density: 3.226731797171163
  • Atomic Density: 0.057574138700124795
  • Unit Cell Volume: 798.9698333064302
  • Molar Volume: 10.459801737315345
  • Full Formula: Pr2 Ti4 Al40
  • Reduced Formula: Pr(TiAl10)2
  • Formula Anonymous: AB2C20
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -201.52041554
  • Final energy per atom: -4.380878598695652
  • 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.