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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119480
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ta', 'Ti', 'O']
  • Chemical System: O-Ta-Ti
  • Density: 8.051510560771376
  • Atomic Density: 0.08628335461074627
  • Unit Cell Volume: 208.61497656418388
  • Molar Volume: 6.979493075075648
  • Full Formula: Ta4 Ti2 O12
  • Reduced Formula: Ta2TiO6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m