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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217445

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-1217445
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 2
  • Element list: ['Ti', 'S']
  • Chemical System: S-Ti
  • Density: 3.4295777893914874
  • Atomic Density: 0.054147725167416505
  • Unit Cell Volume: 720.2518643104203
  • Molar Volume: 11.12168746033275
  • Full Formula: Ti15 S24
  • Reduced Formula: Ti5S8
  • Formula Anonymous: A5B8
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -282.64292008
  • Final energy per atom: -7.247254361025641
  • 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.