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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58273
  • 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: 13
  • Number of elements: 2
  • Element list: ['Ti', 'Be']
  • Chemical System: Be-Ti
  • Density: 2.2774409709957295
  • Atomic Density: 0.11428259252799491
  • Unit Cell Volume: 113.75310720935467
  • Molar Volume: 5.269517103862343
  • Full Formula: Ti1 Be12
  • Reduced Formula: TiBe12
  • Formula Anonymous: AB12
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm