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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22573
  • 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: 12
  • Number of elements: 2
  • Element list: ['Ti', 'O']
  • Chemical System: O-Ti
  • Density: 3.6358864320395354
  • Atomic Density: 0.08224729441894899
  • Unit Cell Volume: 145.9014559053424
  • Molar Volume: 7.321992537924209
  • Full Formula: Ti4 O8
  • Reduced Formula: TiO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m