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  1. Third-Parties
  2. MatprojStructure
  3. mp-559355

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-559355
  • 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: 18
  • Number of elements: 4
  • Element list: ['Hg', 'As', 'S', 'Cl']
  • Chemical System: As-Cl-Hg-S
  • Density: 5.782909368164028
  • Atomic Density: 0.0372950657415455
  • Unit Cell Volume: 482.6375726145612
  • Molar Volume: 16.147285546386716
  • Full Formula: Hg6 As2 S8 Cl2
  • Reduced Formula: Hg3AsS4Cl
  • Formula Anonymous: ABC3D4
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -57.22079645
  • Final energy per atom: -3.178933136111111
  • 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.