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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-758428
  • Created at: Sept. 4, 2022, 3:21 p.m.
  • Last updated at: Sept. 4, 2022, 3:21 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Zn', 'Zr']
  • Chemical System: Zn-Zr
  • Density: 6.603214717797676
  • Atomic Density: 0.045748737093611345
  • Unit Cell Volume: 131.15116134731247
  • Molar Volume: 13.16351257451645
  • Full Formula: Zr5 Zn1
  • Reduced Formula: Zr5Zn
  • Formula Anonymous: AB5
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m