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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97375
  • 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: 14
  • Number of elements: 3
  • Element list: ['Pr', 'Ru', 'I']
  • Chemical System: I-Pr-Ru
  • Density: 6.03955924562782
  • Atomic Density: 0.028147677306182176
  • Unit Cell Volume: 497.3767408128247
  • Molar Volume: 21.394805313749053
  • Full Formula: Pr6 Ru2 I6
  • Reduced Formula: Pr3RuI3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m