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  1. Third-Parties
  2. MatprojStructure
  3. mp-698405

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-698405
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Ag', 'H', 'C', 'S', 'N']
  • Chemical System: Ag-C-H-N-S
  • Density: 1.8242219272643034
  • Atomic Density: 0.07380764127514937
  • Unit Cell Volume: 623.2417024209653
  • Molar Volume: 8.159237520611056
  • Full Formula: Ag2 H24 C8 S10 N2
  • Reduced Formula: AgH12C4S5N
  • Formula Anonymous: ABC4D5E12
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -229.85672242
  • Final energy per atom: -4.99688527
  • 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.