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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-760781
  • Created at: Sept. 4, 2022, 3:24 p.m.
  • Last updated at: Sept. 4, 2022, 3:24 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Zn', 'Zr']
  • Chemical System: Zn-Zr
  • Density: 7.134852417052019
  • Atomic Density: 0.05805264621850189
  • Unit Cell Volume: 206.7089233940122
  • Molar Volume: 10.373585275223322
  • Full Formula: Zr4 Zn8
  • Reduced Formula: ZrZn2
  • Formula Anonymous: AB2
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm