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  1. Third-Parties
  2. MatprojStructure
  3. mp-568380

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-568380
  • 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: 32
  • Number of elements: 2
  • Element list: ['Tl', 'Se']
  • Chemical System: Se-Tl
  • Density: 8.535286210305628
  • Atomic Density: 0.03266656366020112
  • Unit Cell Volume: 979.594925651356
  • Molar Volume: 18.435182906419378
  • Full Formula: Tl20 Se12
  • Reduced Formula: Tl5Se3
  • Formula Anonymous: A3B5
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -105.56938647
  • Final energy per atom: -3.2990433271875
  • 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.