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  1. Third-Parties
  2. MatprojStructure
  3. mp-686102

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-686102
  • 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: 80
  • Number of elements: 3
  • Element list: ['Tl', 'In', 'Se']
  • Chemical System: In-Se-Tl
  • Density: 6.925263857337469
  • Atomic Density: 0.0336986012554273
  • Unit Cell Volume: 2373.985774472336
  • Molar Volume: 17.87059562013753
  • Full Formula: Tl24 In16 Se40
  • Reduced Formula: Tl3In2Se5
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 39
  • Spacegroup Symbol: Aem2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -297.09017354
  • Final energy per atom: -3.7136271692500005
  • 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.