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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1757949
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['H', 'Ni']
  • Chemical System: H-Ni
  • Density: 3.8787868711684856
  • Atomic Density: 0.15139113864356715
  • Unit Cell Volume: 105.68650281222959
  • Molar Volume: 3.9778687272961397
  • Full Formula: Ni4 H12
  • Reduced Formula: NiH3
  • Formula Anonymous: AB3
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m