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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-756111
  • 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: ['Ti', 'Zr']
  • Chemical System: Ti-Zr
  • Density: 5.576722002436521
  • Atomic Density: 0.05054104876546276
  • Unit Cell Volume: 277.0025621147558
  • Molar Volume: 11.91534585668359
  • Full Formula: Zr6 Ti8
  • Reduced Formula: Zr3Ti4
  • Formula Anonymous: A3B4
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m