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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86897
  • 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: 16
  • Number of elements: 2
  • Element list: ['Th', 'Pd']
  • Chemical System: Pd-Th
  • Density: 12.09905026030019
  • Atomic Density: 0.052865909780289815
  • Unit Cell Volume: 302.6525045439649
  • Molar Volume: 11.39134989831435
  • Full Formula: Th4 Pd12
  • Reduced Formula: ThPd3
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm