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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192535

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-1192535
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Hg', 'S', 'N', 'Cl', 'O']
  • Chemical System: Cl-Hg-N-O-S
  • Density: 3.626230036091491
  • Atomic Density: 0.04630648302178022
  • Unit Cell Volume: 604.6669531527631
  • Molar Volume: 13.004962517165232
  • Full Formula: Hg4 S4 N4 Cl4 O12
  • Reduced Formula: HgSNClO3
  • Formula Anonymous: ABCDE3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -124.59391928000002
  • Final energy per atom: -4.449782831428572
  • 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.