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  1. Third-Parties
  2. MatprojStructure
  3. mp-559423

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-559423
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 6
  • Element list: ['Ag', 'H', 'C', 'S', 'O', 'F']
  • Chemical System: Ag-C-F-H-O-S
  • Density: 2.0275772781050896
  • Atomic Density: 0.07791257376200586
  • Unit Cell Volume: 1078.1314997575228
  • Molar Volume: 7.72935672539251
  • Full Formula: Ag4 H32 C20 S8 O8 F12
  • Reduced Formula: AgH8C5S2O2F3
  • Formula Anonymous: AB2C2D3E5F8
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -461.3027662500001
  • Final energy per atom: -5.491699598214287
  • 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.