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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-46076
  • 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: 6
  • Number of elements: 3
  • Element list: ['Pr', 'O', 'F']
  • Chemical System: F-O-Pr
  • Density: 6.2802032519635365
  • Atomic Density: 0.06450101570439097
  • Unit Cell Volume: 93.02179096679782
  • Molar Volume: 9.33650531582255
  • Full Formula: Pr2 O2 F2
  • Reduced Formula: PrOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m