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  1. Third-Parties
  2. MatprojStructure
  3. mp-780171

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-780171
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 5
  • Element list: ['Hg', 'H', 'N', 'Cl', 'O']
  • Chemical System: Cl-H-Hg-N-O
  • Density: 2.745273110395721
  • Atomic Density: 0.07505370313635545
  • Unit Cell Volume: 959.3130917097112
  • Molar Volume: 8.02377565442593
  • Full Formula: Hg4 H40 N8 Cl16 O4
  • Reduced Formula: HgH10N2Cl4O
  • Formula Anonymous: ABC2D4E10
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -316.83027203999995
  • Final energy per atom: -4.400420444999999
  • 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.