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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-757837
  • Created at: Sept. 4, 2022, 3:22 p.m.
  • Last updated at: Sept. 4, 2022, 3:22 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Sc', 'Zr']
  • Chemical System: Sc-Zr
  • Density: 5.392139807014329
  • Atomic Density: 0.04283860990921902
  • Unit Cell Volume: 280.12113430920544
  • Molar Volume: 14.057740838840838
  • Full Formula: Zr8 Sc4
  • Reduced Formula: Zr2Sc
  • Formula Anonymous: AB2
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm