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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-757851
  • 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: ['Sc', 'Zr']
  • Chemical System: Sc-Zr
  • Density: 5.081439492818306
  • Atomic Density: 0.0428618548862156
  • Unit Cell Volume: 326.63075448240596
  • Molar Volume: 14.050117000271785
  • Full Formula: Zr8 Sc6
  • Reduced Formula: Zr4Sc3
  • Formula Anonymous: A3B4
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m