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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-758164
  • 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: 5.698457184175009
  • Atomic Density: 0.049344546073857166
  • Unit Cell Volume: 243.18797019712827
  • Molar Volume: 12.20426823054826
  • Full Formula: Zr6 Ti6
  • Reduced Formula: ZrTi
  • Formula Anonymous: AB
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m