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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-30286
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ti', 'Co', 'O']
  • Chemical System: Co-O-Ti
  • Density: 4.5692510650513505
  • Atomic Density: 0.09462050835682669
  • Unit Cell Volume: 95.11680032472228
  • Molar Volume: 6.364519557736569
  • Full Formula: Ti1 Co2 O6
  • Reduced Formula: Ti(CoO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m