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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229155

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-1229155
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Ag', 'Hg', 'S', 'Br', 'Cl']
  • Chemical System: Ag-Br-Cl-Hg-S
  • Density: 6.10800835172548
  • Atomic Density: 0.038010163886164086
  • Unit Cell Volume: 420.9400424559624
  • Molar Volume: 15.843501169938635
  • Full Formula: Ag4 Hg4 S4 Br1 Cl3
  • Reduced Formula: Ag4Hg4S4BrCl3
  • Formula Anonymous: AB3C4D4E4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -45.89547896
  • Final energy per atom: -2.868467435
  • 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.