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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1340438
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['Zn', 'Zr']
  • Chemical System: Zn-Zr
  • Density: 6.810528728380495
  • Atomic Density: 0.05029711201738302
  • Unit Cell Volume: 318.1097156129023
  • Molar Volume: 11.973134278402918
  • Full Formula: Zr10 Zn6
  • Reduced Formula: Zr5Zn3
  • Formula Anonymous: A3B5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm