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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-17869
  • 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: 20
  • Number of elements: 2
  • Element list: ['Ni', 'Zr']
  • Chemical System: Ni-Zr
  • Density: 7.589024496289749
  • Atomic Density: 0.062322134696871326
  • Unit Cell Volume: 320.91326937496626
  • Molar Volume: 9.66292439963922
  • Full Formula: Zr9 Ni11
  • Reduced Formula: Zr9Ni11
  • Formula Anonymous: A9B11
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m