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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1140581
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Y', 'Zn', 'Zr']
  • Chemical System: Y-Zn-Zr
  • Density: 6.174259240318937
  • Atomic Density: 0.04783086070127927
  • Unit Cell Volume: 83.62801633408652
  • Molar Volume: 12.590492146086206
  • Full Formula: Y1 Zr1 Zn2
  • Reduced Formula: YZrZn2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m