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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-428814
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 2
  • Element list: ['Ti', 'Zr']
  • Chemical System: Ti-Zr
  • Density: 5.831257152304777
  • Atomic Density: 0.04753124122384543
  • Unit Cell Volume: 210.38794154155624
  • Molar Volume: 12.669857981699032
  • Full Formula: Zr6 Ti4
  • Reduced Formula: Zr3Ti2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m