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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-37021
  • 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: 4
  • Number of elements: 3
  • Element list: ['Tl', 'Cd', 'S']
  • Chemical System: Cd-S-Tl
  • Density: 6.864171159753414
  • Atomic Density: 0.043407054828534374
  • Unit Cell Volume: 92.15091914898892
  • Molar Volume: 13.873645156964768
  • Full Formula: Tl1 Cd1 S2
  • Reduced Formula: TlCdS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2