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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-4645
  • 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: 32
  • Number of elements: 3
  • Element list: ['Tl', 'Sn', 'S']
  • Chemical System: S-Sn-Tl
  • Density: 7.6048480341681115
  • Atomic Density: 0.035486842959507915
  • Unit Cell Volume: 901.7426553416836
  • Molar Volume: 16.97006624926183
  • Full Formula: Tl16 Sn4 S12
  • Reduced Formula: Tl4SnS3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm