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  1. Third-Parties
  2. MatprojStructure
  3. mp-572131

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-572131
  • 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: 60
  • Number of elements: 4
  • Element list: ['Sb', 'S', 'Cl', 'O']
  • Chemical System: Cl-O-S-Sb
  • Density: 2.0591732899674327
  • Atomic Density: 0.032545060556191885
  • Unit Cell Volume: 1843.5977372481693
  • Molar Volume: 18.50400846420995
  • Full Formula: Sb4 S32 Cl20 O4
  • Reduced Formula: SbS8Cl5O
  • Formula Anonymous: ABC5D8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -241.52594347
  • Final energy per atom: -4.0254323911666665
  • 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.