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  1. Third-Parties
  2. MatprojStructure
  3. mp-685196

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-685196
  • 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: 58
  • Number of elements: 3
  • Element list: ['Tl', 'Ag', 'Te']
  • Chemical System: Ag-Te-Tl
  • Density: 7.414981980800687
  • Atomic Density: 0.036599025991368654
  • Unit Cell Volume: 1584.7416271044606
  • Molar Volume: 16.454374390783606
  • Full Formula: Tl4 Ag32 Te22
  • Reduced Formula: Tl2Ag16Te11
  • Formula Anonymous: A2B11C16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -181.34459797
  • Final energy per atom: -3.1266309994827584
  • 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.