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  1. Third-Parties
  2. MatprojStructure
  3. mp-558747

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-558747
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Ti', 'Tl', 'P', 'S']
  • Chemical System: P-S-Ti-Tl
  • Density: 3.4671219589401225
  • Atomic Density: 0.03765896179672655
  • Unit Cell Volume: 424.86566906342006
  • Molar Volume: 15.991255394946831
  • Full Formula: Ti2 Tl2 P2 S10
  • Reduced Formula: TiTlPS5
  • Formula Anonymous: ABCD5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -89.19335298
  • Final energy per atom: -5.57458456125
  • 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.