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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203263

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-1203263
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Sb', 'S', 'N', 'Cl']
  • Chemical System: Cl-N-S-Sb
  • Density: 2.1849784177290963
  • Atomic Density: 0.04114619160566538
  • Unit Cell Volume: 1944.2868678272737
  • Molar Volume: 14.635961494844196
  • Full Formula: Sb4 S32 N24 Cl20
  • Reduced Formula: SbS8N6Cl5
  • Formula Anonymous: AB5C6D8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -400.48551204
  • Final energy per atom: -5.0060689005
  • 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.