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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-321001
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Ni', 'Pa']
  • Chemical System: Ni-Pa
  • Density: 14.7036905093352
  • Atomic Density: 0.047112301929932356
  • Unit Cell Volume: 169.80702857393763
  • Molar Volume: 12.782522851369933
  • Full Formula: Pa6 Ni2
  • Reduced Formula: Pa3Ni
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm