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  1. Third-Parties
  2. MatprojStructure
  3. mp-29227

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-29227
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Tl', 'V', 'S']
  • Chemical System: S-Tl-V
  • Density: 5.011863006683718
  • Atomic Density: 0.05904746310302062
  • Unit Cell Volume: 237.09740036712634
  • Molar Volume: 10.198813706006502
  • Full Formula: Tl1 V5 S8
  • Reduced Formula: TlV5S8
  • Formula Anonymous: AB5C8
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -97.43403578
  • Final energy per atom: -6.959573984285714
  • 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.