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  1. Third-Parties
  2. MatprojStructure
  3. mp-541487

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-541487
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Tl', 'Pt', 'Se']
  • Chemical System: Pt-Se-Tl
  • Density: 9.252518493291248
  • Atomic Density: 0.04021015478033505
  • Unit Cell Volume: 298.4320768113196
  • Molar Volume: 14.976666448807487
  • Full Formula: Tl2 Pt4 Se6
  • Reduced Formula: TlPt2Se3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -58.1177615
  • Final energy per atom: -4.843146791666666
  • 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.