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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196117

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-1196117
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Sn', 'Ir', 'S']
  • Chemical System: Ir-S-Sn
  • Density: 7.8281567973473205
  • Atomic Density: 0.04507129258605425
  • Unit Cell Volume: 709.9862942448934
  • Molar Volume: 13.361366880042269
  • Full Formula: Sn12 Ir8 S12
  • Reduced Formula: Sn3Ir2S3
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 200
  • Spacegroup Symbol: Pm-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -179.46761667
  • Final energy per atom: -5.6083630209375
  • 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.