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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1449400
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['B', 'Ni', 'Zr']
  • Chemical System: B-Ni-Zr
  • Density: 5.969395162444509
  • Atomic Density: 0.10572843708829999
  • Unit Cell Volume: 340.49496040440187
  • Molar Volume: 5.695857165627595
  • Full Formula: Zr8 Ni4 B24
  • Reduced Formula: Zr2NiB6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm