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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-63535
  • 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: 16
  • Number of elements: 3
  • Element list: ['Nb', 'Ni', 'B']
  • Chemical System: B-Nb-Ni
  • Density: 7.3265896622439755
  • Atomic Density: 0.10188500372653281
  • Unit Cell Volume: 157.03979403038775
  • Molar Volume: 5.910723403577517
  • Full Formula: Nb4 Ni4 B8
  • Reduced Formula: NbNiB2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm