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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34910
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 19
  • Number of elements: 3
  • Element list: ['Pr', 'Zr', 'F']
  • Chemical System: F-Pr-Zr
  • Density: 4.214457804685081
  • Atomic Density: 0.06893248185330826
  • Unit Cell Volume: 275.632031361252
  • Molar Volume: 8.73628889906418
  • Full Formula: Pr1 Zr3 F15
  • Reduced Formula: PrZr3F15
  • Formula Anonymous: AB3C15
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m