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  1. Third-Parties
  2. MatprojStructure
  3. mp-556747

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-556747
  • 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: 32
  • Number of elements: 4
  • Element list: ['Ag', 'S', 'N', 'O']
  • Chemical System: Ag-N-O-S
  • Density: 5.323409022346466
  • Atomic Density: 0.06140344879412667
  • Unit Cell Volume: 521.1433661859861
  • Molar Volume: 9.807495960350726
  • Full Formula: Ag12 S4 N4 O12
  • Reduced Formula: Ag3SNO3
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -160.07445351
  • Final energy per atom: -5.0023266721875
  • 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.