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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-2316
  • 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: 6
  • Number of elements: 3
  • Element list: ['Pr', 'S', 'F']
  • Chemical System: F-Pr-S
  • Density: 5.747804642125187
  • Atomic Density: 0.05409266873963454
  • Unit Cell Volume: 110.92076134900897
  • Molar Volume: 11.133007300834993
  • Full Formula: Pr2 S2 F2
  • Reduced Formula: PrSF
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm