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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109695
  • 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: 8
  • Number of elements: 3
  • Element list: ['Pb', 'Se', 'S']
  • Chemical System: Pb-S-Se
  • Density: 7.552823961231068
  • Atomic Density: 0.03624399025514302
  • Unit Cell Volume: 220.7262485086007
  • Molar Volume: 16.615556724319166
  • Full Formula: Pb4 Se1 S3
  • Reduced Formula: Pb4SeS3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m