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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200476

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-1200476
  • 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: 58
  • Number of elements: 7
  • Element list: ['Ag', 'H', 'C', 'S', 'N', 'Cl', 'O']
  • Chemical System: Ag-C-Cl-H-N-O-S
  • Density: 1.8744015639215665
  • Atomic Density: 0.08400055976922796
  • Unit Cell Volume: 690.4715892291854
  • Molar Volume: 7.169167415722507
  • Full Formula: Ag2 H28 C6 S6 N12 Cl2 O2
  • Reduced Formula: AgH14C3S3N6ClO
  • Formula Anonymous: ABCD3E3F6G14
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -324.38295566
  • Final energy per atom: -5.592809580344827
  • 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.