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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24378
  • 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: 21
  • Number of elements: 3
  • Element list: ['Ta', 'S', 'Br']
  • Chemical System: Br-S-Ta
  • Density: 4.790428632887885
  • Atomic Density: 0.03668068667368271
  • Unit Cell Volume: 572.5083662369622
  • Molar Volume: 16.417742703602944
  • Full Formula: Ta4 S9 Br8
  • Reduced Formula: Ta4S9Br8
  • Formula Anonymous: A4B8C9
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm