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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105692

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-1105692
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Tl', 'Hg', 'Se']
  • Chemical System: Hg-Se-Tl
  • Density: 8.028622955561254
  • Atomic Density: 0.03280708345401984
  • Unit Cell Volume: 548.6619993279063
  • Molar Volume: 18.35622105342043
  • Full Formula: Tl4 Hg6 Se8
  • Reduced Formula: Tl2Hg3Se4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -47.67738461
  • Final energy per atom: -2.6487435894444444
  • 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.