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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-14166
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ta', 'Pd', 'S']
  • Chemical System: Pd-S-Ta
  • Density: 6.150043768452736
  • Atomic Density: 0.05045027356795558
  • Unit Cell Volume: 178.39348260177752
  • Molar Volume: 11.936785143272392
  • Full Formula: Ta2 Pd1 S6
  • Reduced Formula: Ta2PdS6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m