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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-108760
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['La', 'Ti', 'O']
  • Chemical System: La-O-Ti
  • Density: 4.666697410788683
  • Atomic Density: 0.07649852942945383
  • Unit Cell Volume: 117.64932041340363
  • Molar Volume: 7.8722307538650895
  • Full Formula: La1 Ti2 O6
  • Reduced Formula: LaTi2O6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm