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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197606

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-1197606
  • 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: 42
  • Number of elements: 4
  • Element list: ['Hg', 'C', 'I', 'N']
  • Chemical System: C-Hg-I-N
  • Density: 3.639596411812158
  • Atomic Density: 0.03170847547866607
  • Unit Cell Volume: 1324.566992451536
  • Molar Volume: 18.99221160617383
  • Full Formula: Hg4 C6 I14 N18
  • Reduced Formula: Hg2C3I7N9
  • Formula Anonymous: A2B3C7D9
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -207.19868138
  • Final energy per atom: -4.9333019376190475
  • 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.