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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22384
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ta', 'Sn', 'S']
  • Chemical System: S-Sn-Ta
  • Density: 6.632054120174787
  • Atomic Density: 0.04677025693807221
  • Unit Cell Volume: 427.6221964416765
  • Molar Volume: 12.876005295360736
  • Full Formula: Ta6 Sn2 S12
  • Reduced Formula: Ta3SnS6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm