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  1. Third-Parties
  2. MatprojStructure
  3. mp-554994

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-554994
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Ta', 'Tl', 'Cu', 'S']
  • Chemical System: Cu-S-Ta-Tl
  • Density: 5.766734454878364
  • Atomic Density: 0.03906960737234572
  • Unit Cell Volume: 409.5254873568331
  • Molar Volume: 15.413875810440308
  • Full Formula: Ta2 Tl3 Cu3 S8
  • Reduced Formula: Ta2Tl3Cu3S8
  • Formula Anonymous: A2B3C3D8
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -90.79592752
  • Final energy per atom: -5.67474547
  • 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.