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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-61049
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 19
  • Number of elements: 3
  • Element list: ['Ca', 'Ni', 'B']
  • Chemical System: B-Ca-Ni
  • Density: 6.9010619527613635
  • Atomic Density: 0.09757302717973844
  • Unit Cell Volume: 194.72594577803005
  • Molar Volume: 6.17193186894434
  • Full Formula: Ca1 Ni12 B6
  • Reduced Formula: Ca(Ni2B)6
  • Formula Anonymous: AB6C12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m