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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1732762
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 11
  • Number of elements: 4
  • Element list: ['As', 'Ru', 'S', 'Tl']
  • Chemical System: As-Ru-S-Tl
  • Density: 5.222745671039175
  • Atomic Density: 0.04060385728387806
  • Unit Cell Volume: 270.9102222257982
  • Molar Volume: 14.831449923333066
  • Full Formula: Tl2 As2 Ru1 S6
  • Reduced Formula: Tl2As2RuS6
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3