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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217392

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-1217392
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Tl', 'Re', 'S', 'Cl']
  • Chemical System: Cl-Re-S-Tl
  • Density: 6.320102771447618
  • Atomic Density: 0.03742929624142339
  • Unit Cell Volume: 1389.2860732564634
  • Molar Volume: 16.089377478957875
  • Full Formula: Tl10 Re12 S16 Cl14
  • Reduced Formula: Tl5Re6S8Cl7
  • Formula Anonymous: A5B6C7D8
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -322.2003048
  • Final energy per atom: -6.196159707692308
  • 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.