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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100041
  • 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: 4
  • Number of elements: 3
  • Element list: ['Al', 'Cu', 'Pd']
  • Chemical System: Al-Cu-Pd
  • Density: 8.98570128686933
  • Atomic Density: 0.07134996479223252
  • Unit Cell Volume: 56.061695498348136
  • Molar Volume: 8.44028553838277
  • Full Formula: Al1 Cu1 Pd2
  • Reduced Formula: AlCuPd2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm