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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-37346
  • 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: 10
  • Number of elements: 2
  • Element list: ['Ti', 'O']
  • Chemical System: O-Ti
  • Density: 5.219275834517406
  • Atomic Density: 0.08949672423201006
  • Unit Cell Volume: 111.73593319545573
  • Molar Volume: 6.72889517652991
  • Full Formula: Ti6 O4
  • Reduced Formula: Ti3O2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm