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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-756110
  • Created at: Sept. 4, 2022, 3:24 p.m.
  • Last updated at: Sept. 4, 2022, 3:24 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Ti', 'Zr']
  • Chemical System: Ti-Zr
  • Density: 5.703832750746129
  • Atomic Density: 0.04939109461915085
  • Unit Cell Volume: 242.95877814676194
  • Molar Volume: 12.192766340645102
  • Full Formula: Zr6 Ti6
  • Reduced Formula: ZrTi
  • Formula Anonymous: AB
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m