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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62562
  • 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: 13
  • Number of elements: 3
  • Element list: ['Pr', 'Fe', 'B']
  • Chemical System: B-Fe-Pr
  • Density: 7.07088778411099
  • Atomic Density: 0.06954051323268468
  • Unit Cell Volume: 186.94138705162564
  • Molar Volume: 8.659902666881008
  • Full Formula: Pr4 Fe3 B6
  • Reduced Formula: Pr4(FeB2)3
  • Formula Anonymous: A3B4C6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m