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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223986

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-1223986
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['In', 'Hg', 'Te']
  • Chemical System: Hg-In-Te
  • Density: 6.490287886791422
  • Atomic Density: 0.026921608287480938
  • Unit Cell Volume: 408.59371708172466
  • Molar Volume: 22.369171617434205
  • Full Formula: In2 Hg3 Te6
  • Reduced Formula: In2(HgTe2)3
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -30.47254241
  • Final energy per atom: -2.770231128181818
  • 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.