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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-32212
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['I', 'S', 'Sn']
  • Chemical System: I-S-Sn
  • Density: 4.890847909390427
  • Atomic Density: 0.028142285152661362
  • Unit Cell Volume: 2132.0230277862106
  • Molar Volume: 21.398904628149918
  • Full Formula: Sn24 S12 I24
  • Reduced Formula: Sn2SI2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm