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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88061
  • 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: ['Pr', 'Zr', 'F']
  • Chemical System: F-Pr-Zr
  • Density: 4.02266064532438
  • Atomic Density: 0.06370958803215553
  • Unit Cell Volume: 439.49428751395834
  • Molar Volume: 9.452487366517742
  • Full Formula: Pr2 Zr4 F22
  • Reduced Formula: PrZr2F11
  • Formula Anonymous: AB2C11
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm