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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-71559
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Be', 'Nb', 'Pd']
  • Chemical System: Be-Nb-Pd
  • Density: 7.244343901686061
  • Atomic Density: 0.0802876638966139
  • Unit Cell Volume: 49.8208542367204
  • Molar Volume: 7.500704924924316
  • Full Formula: Be2 Nb1 Pd1
  • Reduced Formula: Be2NbPd
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm