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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-62770
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ca', 'Ni', 'B']
  • Chemical System: B-Ca-Ni
  • Density: 5.665079753016924
  • Atomic Density: 0.07406977267510079
  • Unit Cell Volume: 162.00940770584958
  • Molar Volume: 8.130362147073791
  • Full Formula: Ca3 Ni7 B2
  • Reduced Formula: Ca3Ni7B2
  • Formula Anonymous: A2B3C7
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m