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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52218
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 21
  • Number of elements: 2
  • Element list: ['Ti', 'O']
  • Chemical System: O-Ti
  • Density: 4.002612552039837
  • Atomic Density: 0.08566019023860934
  • Unit Cell Volume: 245.15472054759385
  • Molar Volume: 7.0302677862670215
  • Full Formula: Ti8 O13
  • Reduced Formula: Ti8O13
  • Formula Anonymous: A8B13
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3