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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87934
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Sc', 'Pb', 'S']
  • Chemical System: Pb-S-Sc
  • Density: 4.655192217608329
  • Atomic Density: 0.04613365262831174
  • Unit Cell Volume: 606.9322155258241
  • Molar Volume: 13.05368297741132
  • Full Formula: Sc8 Pb4 S16
  • Reduced Formula: Sc2PbS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm