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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-755828
  • 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: 1
  • Element list: ['Ti']
  • Chemical System: Ti
  • Density: 4.679222366509983
  • Atomic Density: 0.05886923297512162
  • Unit Cell Volume: 203.8416230948898
  • Molar Volume: 10.229691225202442
  • Full Formula: Ti12
  • Reduced Formula: Ti
  • Formula Anonymous: A
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm