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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-13064
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Tl', 'Au', 'S']
  • Chemical System: Au-S-Tl
  • Density: 9.693586518742292
  • Atomic Density: 0.040638455613522216
  • Unit Cell Volume: 442.93021789958476
  • Molar Volume: 14.818822883604286
  • Full Formula: Tl4 Au8 S6
  • Reduced Formula: Tl2Au4S3
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm