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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1718227
  • Created at: Sept. 4, 2022, 4:01 p.m.
  • Last updated at: Sept. 4, 2022, 4:01 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['B', 'O', 'Zn', 'Zr']
  • Chemical System: B-O-Zn-Zr
  • Density: 4.5687350848476
  • Atomic Density: 0.10032242601354413
  • Unit Cell Volume: 99.67861023067704
  • Molar Volume: 6.002786215703132
  • Full Formula: Zr1 Zn1 B2 O6
  • Reduced Formula: ZrZn(BO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3