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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200256

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-1200256
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Ag', 'C', 'S', 'O', 'F']
  • Chemical System: Ag-C-F-O-S
  • Density: 2.857539651882541
  • Atomic Density: 0.06638286051400215
  • Unit Cell Volume: 783.3347282320206
  • Molar Volume: 9.071830760787643
  • Full Formula: Ag4 C4 S8 O24 F12
  • Reduced Formula: AgCS2(O2F)3
  • Formula Anonymous: ABC2D3E6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -305.55849891
  • Final energy per atom: -5.876124979038462
  • 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.