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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119140
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Ta', 'In', 'S']
  • Chemical System: In-S-Ta
  • Density: 6.720209953094228
  • Atomic Density: 0.046137896220985075
  • Unit Cell Volume: 238.41572548764864
  • Molar Volume: 13.052482348037634
  • Full Formula: Ta3 In2 S6
  • Reduced Formula: Ta3(InS3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32