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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-758379
  • Created at: Sept. 4, 2022, 3:22 p.m.
  • Last updated at: Sept. 4, 2022, 3:22 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Y', 'Zr']
  • Chemical System: Y-Zr
  • Density: 6.00361838533218
  • Atomic Density: 0.03988620374718265
  • Unit Cell Volume: 200.57060458066474
  • Molar Volume: 15.098305163788298
  • Full Formula: Y2 Zr6
  • Reduced Formula: YZr3
  • Formula Anonymous: AB3
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm