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  1. Third-Parties
  2. MatprojStructure
  3. mp-860963

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-860963
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['Ag', 'H', 'S', 'O']
  • Chemical System: Ag-H-O-S
  • Density: 3.1911550258767005
  • Atomic Density: 0.07944965936584236
  • Unit Cell Volume: 1057.2732554233448
  • Molar Volume: 7.579819483265258
  • Full Formula: Ag8 H16 S12 O48
  • Reduced Formula: Ag2H4(SO4)3
  • Formula Anonymous: A2B3C4D12
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -485.96197329
  • Final energy per atom: -5.7852615867857144
  • 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.