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  1. Third-Parties
  2. MatprojStructure
  3. mp-690571

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-690571
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['In', 'Hg', 'Te']
  • Chemical System: Hg-In-Te
  • Density: 5.7173145448990494
  • Atomic Density: 0.02371532747373738
  • Unit Cell Volume: 927.6700911831408
  • Molar Volume: 25.39345394521322
  • Full Formula: In4 Hg6 Te12
  • Reduced Formula: In2(HgTe2)3
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -55.50990707
  • Final energy per atom: -2.523177594090909
  • 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.