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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229204

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-1229204
  • 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: 36
  • Number of elements: 6
  • Element list: ['Ag', 'Hg', 'S', 'I', 'Br', 'Cl']
  • Chemical System: Ag-Br-Cl-Hg-I-S
  • Density: 6.414661908299147
  • Atomic Density: 0.037135057741530496
  • Unit Cell Volume: 969.434334815613
  • Molar Volume: 16.216861171768308
  • Full Formula: Ag8 Hg10 S10 I2 Br2 Cl4
  • Reduced Formula: Ag4Hg5S5IBrCl2
  • Formula Anonymous: ABC2D4E5F5
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -99.78100758
  • Final energy per atom: -2.7716946549999997
  • 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.