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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111724
  • 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: 12
  • Number of elements: 4
  • Element list: ['Yb', 'Ti', 'Cl', 'O']
  • Chemical System: Cl-O-Ti-Yb
  • Density: 5.597044873343839
  • Atomic Density: 0.06644708520216201
  • Unit Cell Volume: 180.5948291560207
  • Molar Volume: 9.063062347547573
  • Full Formula: Yb2 Ti2 Cl2 O6
  • Reduced Formula: YbTiClO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m