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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228331

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-1228331
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ba', 'Tl', 'Au']
  • Chemical System: Au-Ba-Tl
  • Density: 8.967196177168686
  • Atomic Density: 0.029869019758559944
  • Unit Cell Volume: 200.87703073283828
  • Molar Volume: 20.161829242066638
  • Full Formula: Ba2 Tl3 Au1
  • Reduced Formula: Ba2Tl3Au
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -16.87978247
  • Final energy per atom: -2.813297078333333
  • 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.