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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-110085
  • 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: 5
  • Number of elements: 3
  • Element list: ['Nd', 'P', 'Pd']
  • Chemical System: Nd-P-Pd
  • Density: 7.9648390165136576
  • Atomic Density: 0.05723389278980855
  • Unit Cell Volume: 87.36082339117658
  • Molar Volume: 10.52198350742332
  • Full Formula: Nd1 P2 Pd2
  • Reduced Formula: Nd(PPd)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm