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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22929
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Y', 'Ti', 'O']
  • Chemical System: O-Ti-Y
  • Density: 4.6767743865086455
  • Atomic Density: 0.07370999701461554
  • Unit Cell Volume: 434.1337850502815
  • Molar Volume: 8.170046132013685
  • Full Formula: Y8 Ti4 O20
  • Reduced Formula: Y2TiO5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm