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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-758438
  • 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: 6.911007584012536
  • Atomic Density: 0.05314213541046097
  • Unit Cell Volume: 225.8095183287989
  • Molar Volume: 11.332139202698558
  • Full Formula: Zr6 Zn6
  • Reduced Formula: ZrZn
  • Formula Anonymous: AB
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2