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  1. Third-Parties
  2. MatprojStructure
  3. mp-555166

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-555166
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Ba', 'Ag', 'Sn', 'S']
  • Chemical System: Ag-Ba-S-Sn
  • Density: 4.789230440868241
  • Atomic Density: 0.03845308592082026
  • Unit Cell Volume: 208.04572138821334
  • Molar Volume: 15.661007733944542
  • Full Formula: Ba1 Ag2 Sn1 S4
  • Reduced Formula: BaAg2SnS4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 23
  • Spacegroup Symbol: I222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -36.24505298
  • Final energy per atom: -4.5306316225
  • 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.