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  1. Third-Parties
  2. MatprojStructure
  3. mp-676645

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-676645
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 3
  • Element list: ['Ga', 'Hg', 'Te']
  • Chemical System: Ga-Hg-Te
  • Density: 6.995239209246693
  • Atomic Density: 0.027388320128452708
  • Unit Cell Volume: 1058.8455175048498
  • Molar Volume: 21.987988791411208
  • Full Formula: Ga2 Hg12 Te15
  • Reduced Formula: Ga2(Hg4Te5)3
  • Formula Anonymous: A2B12C15
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -68.56095524
  • Final energy per atom: -2.3641708703448274
  • 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.