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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1742352
  • Created at: Sept. 4, 2022, 4:02 p.m.
  • Last updated at: Sept. 4, 2022, 4:02 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ca', 'F', 'Yb']
  • Chemical System: Ca-F-Yb
  • Density: 6.425495449421993
  • Atomic Density: 0.08030512027055652
  • Unit Cell Volume: 149.4300731954665
  • Molar Volume: 7.499074454668351
  • Full Formula: Ca2 Yb2 F8
  • Reduced Formula: CaYbF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm