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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91533
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Ca', 'Ni', 'B', 'N']
  • Chemical System: B-Ca-N-Ni
  • Density: 4.3259327389800415
  • Atomic Density: 0.08431609545318462
  • Unit Cell Volume: 94.88105393165286
  • Molar Volume: 7.142338277919562
  • Full Formula: Ca2 Ni2 B2 N2
  • Reduced Formula: CaNiBN
  • Formula Anonymous: ABCD
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm