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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-320988
  • 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: 8
  • Number of elements: 2
  • Element list: ['Ti', 'Zr']
  • Chemical System: Ti-Zr
  • Density: 6.1240610544587035
  • Atomic Density: 0.045879296390831915
  • Unit Cell Volume: 174.3705904260259
  • Molar Volume: 13.126052999372956
  • Full Formula: Zr6 Ti2
  • Reduced Formula: Zr3Ti
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm