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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-18198
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ta', 'In', 'S']
  • Chemical System: In-S-Ta
  • Density: 6.941481873507418
  • Atomic Density: 0.04646074963647405
  • Unit Cell Volume: 86.09417694069656
  • Molar Volume: 12.96178130383052
  • Full Formula: Ta1 In1 S2
  • Reduced Formula: TaInS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2