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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1713889
  • Created at: Sept. 4, 2022, 4 p.m.
  • Last updated at: Sept. 4, 2022, 4 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['F', 'Zn', 'Zr']
  • Chemical System: F-Zn-Zr
  • Density: 4.012749819241671
  • Atomic Density: 0.06722599067074574
  • Unit Cell Volume: 104.12639412461854
  • Molar Volume: 8.958054317852714
  • Full Formula: Zr1 Zn1 F5
  • Reduced Formula: ZrZnF5
  • Formula Anonymous: ABC5
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm