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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55522
  • 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: 20
  • Number of elements: 3
  • Element list: ['P', 'Pb', 'S']
  • Chemical System: P-Pb-S
  • Density: 4.687433847435265
  • Atomic Density: 0.042211458799788625
  • Unit Cell Volume: 473.80499439408504
  • Molar Volume: 14.266601845160954
  • Full Formula: P4 Pb4 S12
  • Reduced Formula: PPbS3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m