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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-15377
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 136
  • Number of elements: 3
  • Element list: ['Ca', 'O', 'Ti']
  • Chemical System: Ca-O-Ti
  • Density: 7.758626734194112
  • Atomic Density: 0.17121970984140486
  • Unit Cell Volume: 794.3010774050038
  • Molar Volume: 3.5172006573180794
  • Full Formula: Ca32 Ti24 O80
  • Reduced Formula: Ca4Ti3O10
  • Formula Anonymous: A3B4C10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1