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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-70116
  • 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: 3
  • Element list: ['As', 'S', 'Tl']
  • Chemical System: As-S-Tl
  • Density: 6.396895304423673
  • Atomic Density: 0.034383851375106037
  • Unit Cell Volume: 1628.6715350492727
  • Molar Volume: 17.51444506405713
  • Full Formula: Tl24 As8 S24
  • Reduced Formula: Tl3AsS3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm