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  1. Third-Parties
  2. MatprojStructure
  3. mp-555833

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-555833
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Hg', 'As', 'S', 'Br']
  • Chemical System: As-Br-Hg-S
  • Density: 3.783550842649704
  • Atomic Density: 0.029406369083366794
  • Unit Cell Volume: 1700.311924204258
  • Molar Volume: 20.479035486928986
  • Full Formula: Hg6 As16 S16 Br12
  • Reduced Formula: Hg3As8(S4Br3)2
  • Formula Anonymous: A3B6C8D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -189.52293015
  • Final energy per atom: -3.7904586030000003
  • 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.