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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90158
  • 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: 9
  • Number of elements: 3
  • Element list: ['Th', 'Al', 'Pd']
  • Chemical System: Al-Pd-Th
  • Density: 9.313389286029432
  • Atomic Density: 0.046043073712368716
  • Unit Cell Volume: 195.46913953275666
  • Molar Volume: 13.07936302780379
  • Full Formula: Th3 Al3 Pd3
  • Reduced Formula: ThAlPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m