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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1520672
  • Created at: Sept. 4, 2022, 3:54 p.m.
  • Last updated at: Sept. 4, 2022, 3:54 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Ti', 'Zr']
  • Chemical System: Ti-Zr
  • Density: 5.993301675071397
  • Atomic Density: 0.047012795063582316
  • Unit Cell Volume: 255.24966094380554
  • Molar Volume: 12.809578226215596
  • Full Formula: Zr8 Ti4
  • Reduced Formula: Zr2Ti
  • Formula Anonymous: AB2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm