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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-560046
  • 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: 26
  • Number of elements: 3
  • Element list: ['Ta', 'Pt', 'S']
  • Chemical System: Pt-S-Ta
  • Density: 7.3975066878631655
  • Atomic Density: 0.04811416942128037
  • Unit Cell Volume: 540.381353616394
  • Molar Volume: 12.516356059835616
  • Full Formula: Ta4 Pt6 S16
  • Reduced Formula: Ta2Pt3S8
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -177.40294102
  • Final energy per atom: -6.823190039230768
  • 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.