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  1. Third-Parties
  2. MatprojStructure
  3. mp-677726

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-677726
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 93
  • Number of elements: 5
  • Element list: ['Al', 'Si', 'Ag', 'S', 'O']
  • Chemical System: Ag-Al-O-S-Si
  • Density: 3.7790326559144374
  • Atomic Density: 0.06384575531385503
  • Unit Cell Volume: 1456.6355984485983
  • Molar Volume: 9.432327537509996
  • Full Formula: Al12 Si12 Ag16 S5 O48
  • Reduced Formula: Al12Si12Ag16S5O48
  • Formula Anonymous: A5B12C12D16E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -642.39150948
  • Final energy per atom: -6.907435585806451
  • 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.