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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1483728
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ni', 'Si', 'Zr']
  • Chemical System: Ni-Si-Zr
  • Density: 6.292835898904667
  • Atomic Density: 0.06378308222080158
  • Unit Cell Volume: 250.85021674888458
  • Molar Volume: 9.44159571836433
  • Full Formula: Zr6 Si6 Ni4
  • Reduced Formula: Zr3Si3Ni2
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm