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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-35889
  • Created at: Sept. 4, 2022, 3:18 p.m.
  • Last updated at: Sept. 4, 2022, 3:18 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Co', 'P', 'Zr']
  • Chemical System: Co-P-Zr
  • Density: 7.265973257231369
  • Atomic Density: 0.07705122905080947
  • Unit Cell Volume: 467.2216192198663
  • Molar Volume: 7.815762102936545
  • Full Formula: Zr8 Co16 P12
  • Reduced Formula: Zr2Co4P3
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m