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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202797

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-1202797
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 6
  • Element list: ['Ag', 'H', 'C', 'S', 'Br', 'N']
  • Chemical System: Ag-Br-C-H-N-S
  • Density: 2.485787848613867
  • Atomic Density: 0.06940694760849729
  • Unit Cell Volume: 806.8356544920885
  • Molar Volume: 8.67656764560372
  • Full Formula: Ag4 H24 C6 S6 Br4 N12
  • Reduced Formula: Ag2H12C3S3(BrN3)2
  • Formula Anonymous: A2B2C3D3E6F12
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -303.95597721
  • Final energy per atom: -5.427785307321429
  • 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.