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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29847
  • 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: 24
  • Number of elements: 3
  • Element list: ['Ti', 'H', 'O']
  • Chemical System: H-O-Ti
  • Density: 3.0995955219965396
  • Atomic Density: 0.08695007034116245
  • Unit Cell Volume: 276.0204782564543
  • Molar Volume: 6.925975719595363
  • Full Formula: Ti6 H4 O14
  • Reduced Formula: Ti3H2O7
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m