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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-27052
  • 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: 28
  • Number of elements: 4
  • Element list: ['Tl', 'P', 'Pb', 'S']
  • Chemical System: P-Pb-S-Tl
  • Density: 5.287077317839833
  • Atomic Density: 0.039045200578861565
  • Unit Cell Volume: 717.1175864098069
  • Molar Volume: 15.42351088154043
  • Full Formula: Tl4 P4 Pb4 S16
  • Reduced Formula: TlPPbS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm