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  1. Third-Parties
  2. MatprojStructure
  3. mp-685442

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-685442
  • 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: 116
  • Number of elements: 3
  • Element list: ['Tl', 'Ag', 'Se']
  • Chemical System: Ag-Se-Tl
  • Density: 7.711939892805075
  • Atomic Density: 0.041053846550718025
  • Unit Cell Volume: 2825.5574019524165
  • Molar Volume: 14.668883103463235
  • Full Formula: Tl18 Ag59 Se39
  • Reduced Formula: Tl18Ag59Se39
  • Formula Anonymous: A18B39C59
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -379.20124048
  • Final energy per atom: -3.268976211034483
  • 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.