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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219355

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-1219355
  • 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: 28
  • Number of elements: 4
  • Element list: ['Si', 'Ag', 'Hg', 'Se']
  • Chemical System: Ag-Hg-Se-Si
  • Density: 6.343058381270891
  • Atomic Density: 0.039623988897045596
  • Unit Cell Volume: 706.6426369326917
  • Molar Volume: 15.198219380808016
  • Full Formula: Si2 Ag12 Hg2 Se12
  • Reduced Formula: SiAg6HgSe6
  • Formula Anonymous: ABC6D6
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -98.12662883
  • Final energy per atom: -3.5045224582142858
  • 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.