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  1. Third-Parties
  2. MatprojStructure
  3. mp-726668

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-726668
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Hg', 'C', 'N', 'O']
  • Chemical System: C-Hg-N-O
  • Density: 4.684342136029061
  • Atomic Density: 0.042264551483932745
  • Unit Cell Volume: 1324.9874429943711
  • Molar Volume: 14.248680155258176
  • Full Formula: Hg16 C20 N16 O4
  • Reduced Formula: Hg4C5N4O
  • Formula Anonymous: AB4C4D5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -306.83670052
  • Final energy per atom: -5.479226795000001
  • 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.