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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22871
  • 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: 19
  • Number of elements: 3
  • Element list: ['Ba', 'Ni', 'B']
  • Chemical System: B-Ba-Ni
  • Density: 7.374169254600378
  • Atomic Density: 0.09307717321431531
  • Unit Cell Volume: 204.13168281605903
  • Molar Volume: 6.47005119733674
  • Full Formula: Ba1 Ni12 B6
  • Reduced Formula: Ba(Ni2B)6
  • Formula Anonymous: AB6C12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m