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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-671372
  • 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: 56
  • Number of elements: 4
  • Element list: ['In', 'S', 'Si', 'Tl']
  • Chemical System: In-S-Si-Tl
  • Density: 3.973504060501663
  • Atomic Density: 0.035223243095588795
  • Unit Cell Volume: 1589.8592826341194
  • Molar Volume: 17.09706497967016
  • Full Formula: Tl8 In8 Si8 S32
  • Reduced Formula: TlInSiS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm