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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205234

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-1205234
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 6
  • Element list: ['Ag', 'H', 'C', 'S', 'Cl', 'O']
  • Chemical System: Ag-C-Cl-H-O-S
  • Density: 2.203294128311858
  • Atomic Density: 0.07989442508229298
  • Unit Cell Volume: 1902.5107176556653
  • Molar Volume: 7.537623249428312
  • Full Formula: Ag8 H64 C24 S16 Cl8 O32
  • Reduced Formula: AgH8C3S2ClO4
  • Formula Anonymous: ABC2D3E4F8
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -752.88209389
  • Final energy per atom: -4.953171670328947
  • 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.