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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-20096
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Ti', 'B']
  • Chemical System: B-Ti
  • Density: 4.470999376469537
  • Atomic Density: 0.11624136593824842
  • Unit Cell Volume: 25.80836843911235
  • Molar Volume: 5.180720917542535
  • Full Formula: Ti1 B2
  • Reduced Formula: TiB2
  • Formula Anonymous: AB2
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm