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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98128
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Pr', 'Ru', 'Cl']
  • Chemical System: Cl-Pr-Ru
  • Density: 5.7811290896973215
  • Atomic Density: 0.038673753527769646
  • Unit Cell Volume: 724.0052347102701
  • Molar Volume: 15.571647980007445
  • Full Formula: Pr12 Ru4 Cl12
  • Reduced Formula: Pr3RuCl3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm