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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-27327
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 168
  • Number of elements: 3
  • Element list: ['Ni', 'Si', 'Ti']
  • Chemical System: Ni-Si-Ti
  • Density: 6.475211879622275
  • Atomic Density: 0.08528616628492282
  • Unit Cell Volume: 1969.8388064337184
  • Molar Volume: 7.0610991469370505
  • Full Formula: Ti26 Si62 Ni80
  • Reduced Formula: Ti13Si31Ni40
  • Formula Anonymous: A13B31C40
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm