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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-5629
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Ta', 'Se', 'I']
  • Chemical System: I-Se-Ta
  • Density: 7.267979720154215
  • Atomic Density: 0.03188170518232541
  • Unit Cell Volume: 690.0509202436377
  • Molar Volume: 18.889017151248726
  • Full Formula: Ta6 Se2 I14
  • Reduced Formula: Ta3SeI7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm