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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-49225
  • 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: 20
  • Number of elements: 2
  • Element list: ['Pr', 'S']
  • Chemical System: Pr-S
  • Density: 5.157360882021621
  • Atomic Density: 0.04108135835503036
  • Unit Cell Volume: 486.83881937781706
  • Molar Volume: 14.65905948862715
  • Full Formula: Pr8 S12
  • Reduced Formula: Pr2S3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm