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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215118

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-1215118
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 4
  • Element list: ['Ag', 'Hg', 'As', 'S']
  • Chemical System: Ag-As-Hg-S
  • Density: 5.570458732955031
  • Atomic Density: 0.044610103567203796
  • Unit Cell Volume: 3227.9682960849505
  • Molar Volume: 13.499499616556202
  • Full Formula: Ag64 Hg4 As16 S60
  • Reduced Formula: Ag16HgAs4S15
  • Formula Anonymous: AB4C15D16
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -548.51314077
  • Final energy per atom: -3.8091190331249996
  • 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.