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Table mix-ins: ['Structure'] Extra columns: ['mineral_name', 'aflow_id', 'pearson_symbol', 'strukturbericht_symbol', 'nsites_wyckoff']

Base Information:

  • Database Entry ID: 65
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: AFLOW Prototypes

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['O', 'Ti']
  • Chemical System: O-Ti
  • Density: 3.8920196144463843
  • Atomic Density: 0.08804127661768929
  • Unit Cell Volume: 68.149852325
  • Molar Volume: 6.840133391239388
  • Full Formula: Ti2 O4
  • Reduced Formula: TiO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm