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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1536895
  • Created at: Sept. 4, 2022, 3:55 p.m.
  • Last updated at: Sept. 4, 2022, 3:55 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['I', 'U', 'Zr']
  • Chemical System: I-U-Zr
  • Density: 8.02606771338964
  • Atomic Density: 0.03784348758228986
  • Unit Cell Volume: 264.2462584415671
  • Molar Volume: 15.913281636384554
  • Full Formula: Zr6 U2 I2
  • Reduced Formula: Zr3UI
  • Formula Anonymous: ABC3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm