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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-683246
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Si', 'Zn', 'Zr']
  • Chemical System: Si-Zn-Zr
  • Density: 7.3085950158750785
  • Atomic Density: 0.06348583837043571
  • Unit Cell Volume: 472.5463311195792
  • Molar Volume: 9.48580173874558
  • Full Formula: Zr6 Zn23 Si1
  • Reduced Formula: Zr6Zn23Si
  • Formula Anonymous: AB6C23
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m