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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1140408
  • 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: ['W', 'Y', 'Zr']
  • Chemical System: W-Y-Zr
  • Density: 11.589015391528354
  • Atomic Density: 0.05095978612411474
  • Unit Cell Volume: 78.49326506704382
  • Molar Volume: 11.817437273643218
  • Full Formula: Y1 Zr1 W2
  • Reduced Formula: YZrW2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m