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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51654
  • 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: 3
  • Element list: ['Bi', 'Pb', 'S']
  • Chemical System: Bi-Pb-S
  • Density: 7.00469097922594
  • Atomic Density: 0.03919226088560992
  • Unit Cell Volume: 714.4267609802695
  • Molar Volume: 15.365637561907352
  • Full Formula: Bi8 Pb4 S16
  • Reduced Formula: Bi2PbS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm