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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1449409
  • 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', 'Ru', 'Zr']
  • Chemical System: B-Ru-Zr
  • Density: 6.554804479140736
  • Atomic Density: 0.10197529082040166
  • Unit Cell Volume: 353.0266960787884
  • Molar Volume: 5.905490155067233
  • Full Formula: Zr8 B24 Ru4
  • Reduced Formula: Zr2B6Ru
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm