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  1. Third-Parties
  2. MatprojStructure
  3. mp-674339

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-674339
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 3
  • Element list: ['Tl', 'Pb', 'I']
  • Chemical System: I-Pb-Tl
  • Density: 6.458831838652496
  • Atomic Density: 0.02446701271141332
  • Unit Cell Volume: 1389.6261223643273
  • Molar Volume: 24.613306213679305
  • Full Formula: Tl12 Pb2 I20
  • Reduced Formula: Tl6PbI10
  • Formula Anonymous: AB6C10
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -93.76140103
  • Final energy per atom: -2.7576882655882353
  • 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.