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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205035

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-1205035
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 6
  • Element list: ['Ag', 'H', 'S', 'Br', 'N', 'O']
  • Chemical System: Ag-Br-H-N-O-S
  • Density: 1.8968130522941367
  • Atomic Density: 0.0787357676308944
  • Unit Cell Volume: 1524.0849693947011
  • Molar Volume: 7.648545179912652
  • Full Formula: Ag2 H56 S16 Br4 N18 O24
  • Reduced Formula: AgH28S8Br2(N3O4)3
  • Formula Anonymous: AB2C8D9E12F28
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -617.4296458199999
  • Final energy per atom: -5.145247048499999
  • 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.