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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35770
  • 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: 3
  • Number of elements: 3
  • Element list: ['Li', 'H', 'Pd']
  • Chemical System: H-Li-Pd
  • Density: 6.20376515815822
  • Atomic Density: 0.09799849601821069
  • Unit Cell Volume: 30.612714703728937
  • Molar Volume: 6.145135899719245
  • Full Formula: Li1 H1 Pd1
  • Reduced Formula: LiHPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm