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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-26473
  • 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: 14
  • Number of elements: 2
  • Element list: ['Ti', 'O']
  • Chemical System: O-Ti
  • Density: 4.734387650008743
  • Atomic Density: 0.06582358853035566
  • Unit Cell Volume: 212.68971067330466
  • Molar Volume: 9.148909827702251
  • Full Formula: Ti12 O2
  • Reduced Formula: Ti6O
  • Formula Anonymous: AB6
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m