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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204181

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-1204181
  • 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: 64
  • Number of elements: 5
  • Element list: ['Ag', 'S', 'N', 'Cl', 'O']
  • Chemical System: Ag-Cl-N-O-S
  • Density: 1.4989755808609855
  • Atomic Density: 0.0383442460469095
  • Unit Cell Volume: 1669.090061692798
  • Molar Volume: 15.705461394736115
  • Full Formula: Ag2 S16 N18 Cl4 O24
  • Reduced Formula: AgS8N9(ClO6)2
  • Formula Anonymous: AB2C8D9E12
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -332.25473474
  • Final energy per atom: -5.1914802303125
  • 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.