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  1. Third-Parties
  2. MatprojStructure
  3. mp-560067

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-560067
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Ag', 'Hg', 'S', 'Br']
  • Chemical System: Ag-Br-Hg-S
  • Density: 6.111590113044165
  • Atomic Density: 0.03501662684136063
  • Unit Cell Volume: 456.92579335201015
  • Molar Volume: 17.197946527752986
  • Full Formula: Ag4 Hg4 S4 Br4
  • Reduced Formula: AgHgSBr
  • Formula Anonymous: ABCD
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -44.41661354
  • Final energy per atom: -2.77603834625
  • 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.