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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16121
  • 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: 5
  • Number of elements: 3
  • Element list: ['Np', 'Si', 'Pd']
  • Chemical System: Np-Pd-Si
  • Density: 9.719030695254474
  • Atomic Density: 0.05783408949391378
  • Unit Cell Volume: 86.45420103875205
  • Molar Volume: 10.412787358974063
  • Full Formula: Np1 Si2 Pd2
  • Reduced Formula: Np(SiPd)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm