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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-756559
  • Created at: Sept. 4, 2022, 3:25 p.m.
  • Last updated at: Sept. 4, 2022, 3:25 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 14
  • Number of elements: 2
  • Element list: ['Cr', 'Zr']
  • Chemical System: Cr-Zr
  • Density: 6.757639360583693
  • Atomic Density: 0.054689340443108796
  • Unit Cell Volume: 255.99138491281784
  • Molar Volume: 11.011543952088065
  • Full Formula: Zr8 Cr6
  • Reduced Formula: Zr4Cr3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m