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  1. Third-Parties
  2. MatprojStructure
  3. mp-862830

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-862830
  • 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: 4
  • Number of elements: 3
  • Element list: ['Pa', 'Tl', 'Au']
  • Chemical System: Au-Pa-Tl
  • Density: 15.302494987402252
  • Atomic Density: 0.04444614276712116
  • Unit Cell Volume: 89.99656102799055
  • Molar Volume: 13.549298960662234
  • Full Formula: Pa1 Tl1 Au2
  • Reduced Formula: PaTlAu2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -19.47737695
  • Final energy per atom: -4.8693442375
  • 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.