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  1. Third-Parties
  2. MatprojStructure
  3. mp-569533

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-569533
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 5
  • Element list: ['Hg', 'H', 'C', 'I', 'N']
  • Chemical System: C-H-Hg-I-N
  • Density: 3.221992433923557
  • Atomic Density: 0.054450808959502384
  • Unit Cell Volume: 1322.2944043595344
  • Molar Volume: 11.059781985018713
  • Full Formula: Hg4 H40 C12 I12 N4
  • Reduced Formula: HgH10C3I3N
  • Formula Anonymous: ABC3D3E10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -322.91153064
  • Final energy per atom: -4.48488237
  • 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.