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  1. Third-Parties
  2. MatprojStructure
  3. mp-985477

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-985477
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Al', 'Tl', 'S']
  • Chemical System: Al-S-Tl
  • Density: 4.7847925438733405
  • Atomic Density: 0.03900534351541324
  • Unit Cell Volume: 820.4004148138055
  • Molar Volume: 15.439271179909769
  • Full Formula: Al8 Tl8 S16
  • Reduced Formula: AlTlS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -151.5605053
  • Final energy per atom: -4.736265790625
  • 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.