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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205047

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-1205047
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 248
  • Number of elements: 6
  • Element list: ['Ag', 'H', 'C', 'S', 'N', 'Cl']
  • Chemical System: Ag-C-Cl-H-N-S
  • Density: 1.314353279709431
  • Atomic Density: 0.09087799602902329
  • Unit Cell Volume: 2728.9334144295763
  • Molar Volume: 6.626621429984808
  • Full Formula: Ag4 H144 C60 S12 N24 Cl4
  • Reduced Formula: AgH36C15S3N6Cl
  • Formula Anonymous: ABC3D6E15F36
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -1364.40809553
  • Final energy per atom: -5.501645546491936
  • 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.