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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194495

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-1194495
  • 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: 30
  • Number of elements: 2
  • Element list: ['Ta', 'Au']
  • Chemical System: Au-Ta
  • Density: 17.32567465053791
  • Atomic Density: 0.0560089557638944
  • Unit Cell Volume: 535.6286256516711
  • Molar Volume: 10.752103262532366
  • Full Formula: Ta20 Au10
  • Reduced Formula: Ta2Au
  • Formula Anonymous: AB2
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -271.16040944
  • Final energy per atom: -9.038680314666667
  • 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.