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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34927
  • 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: 16
  • Number of elements: 2
  • Element list: ['Ba', 'Bi']
  • Chemical System: Ba-Bi
  • Density: 6.095175365997336
  • Atomic Density: 0.022354853276790664
  • Unit Cell Volume: 715.7282493377659
  • Molar Volume: 26.93885164637752
  • Full Formula: Ba10 Bi6
  • Reduced Formula: Ba5Bi3
  • Formula Anonymous: A3B5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm