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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114510
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ti', 'B', 'O']
  • Chemical System: B-O-Ti
  • Density: 3.580128849519931
  • Atomic Density: 0.10544903735476283
  • Unit Cell Volume: 56.89952369896146
  • Molar Volume: 5.710949014868363
  • Full Formula: Ti1 B1 O4
  • Reduced Formula: TiBO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2