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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229086

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-1229086
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Ag', 'S', 'O', 'F']
  • Chemical System: Ag-F-O-S
  • Density: 3.8540124601468078
  • Atomic Density: 0.06729646046602526
  • Unit Cell Volume: 356.6309406735655
  • Molar Volume: 8.948673850447586
  • Full Formula: Ag4 S4 O12 F4
  • Reduced Formula: AgSO3F
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -133.1443074
  • Final energy per atom: -5.547679475
  • 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.