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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1756089
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Cr', 'O', 'Ti']
  • Chemical System: Cr-O-Ti
  • Density: 4.670893295226983
  • Atomic Density: 0.10213971045102894
  • Unit Cell Volume: 88.1146026384622
  • Molar Volume: 5.8959837788920755
  • Full Formula: Ti1 Cr2 O6
  • Reduced Formula: TiCr2O6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m