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  1. Third-Parties
  2. MatprojStructure
  3. mp-685555

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-685555
  • 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: 144
  • Number of elements: 3
  • Element list: ['Hg', 'As', 'S']
  • Chemical System: As-Hg-S
  • Density: 5.184597053692803
  • Atomic Density: 0.036770964748734106
  • Unit Cell Volume: 3916.1333129002937
  • Molar Volume: 16.377434753618534
  • Full Formula: Hg36 As36 S72
  • Reduced Formula: HgAsS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -516.1021882599999
  • Final energy per atom: -3.5840429740277773
  • 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.