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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58436
  • 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: 3
  • Element list: ['Ti', 'B', 'O']
  • Chemical System: B-O-Ti
  • Density: 3.7390397844059753
  • Atomic Density: 0.10553911695726995
  • Unit Cell Volume: 94.7515981590858
  • Molar Volume: 5.706074613489715
  • Full Formula: Ti2 B2 O6
  • Reduced Formula: TiBO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m