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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-28113
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['As', 'S', 'Tl']
  • Chemical System: As-S-Tl
  • Density: 6.530595273171621
  • Atomic Density: 0.035102499975014606
  • Unit Cell Volume: 199.41599615362117
  • Molar Volume: 17.15587426618179
  • Full Formula: Tl3 As1 S3
  • Reduced Formula: Tl3AsS3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m