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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101049

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-1101049
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ti', 'Tl', 'S']
  • Chemical System: S-Ti-Tl
  • Density: 4.3310737347352095
  • Atomic Density: 0.05214691906189502
  • Unit Cell Volume: 268.47223674677514
  • Molar Volume: 11.548411427436603
  • Full Formula: Ti5 Tl1 S8
  • Reduced Formula: Ti5TlS8
  • Formula Anonymous: AB5C8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -97.33391317
  • Final energy per atom: -6.952422369285714
  • 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.