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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-691924
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 19
  • Number of elements: 3
  • Element list: ['Ca', 'O', 'Ti']
  • Chemical System: Ca-O-Ti
  • Density: 3.885390569870653
  • Atomic Density: 0.0842348268444468
  • Unit Cell Volume: 225.5599104523188
  • Molar Volume: 7.149229108193995
  • Full Formula: Ca4 Ti4 O11
  • Reduced Formula: Ca4Ti4O11
  • Formula Anonymous: A4B4C11
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1