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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87024
  • 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: 12
  • Number of elements: 3
  • Element list: ['Nd', 'Ni', 'B']
  • Chemical System: B-Nd-Ni
  • Density: 8.316774450574911
  • Atomic Density: 0.07708779199958446
  • Unit Cell Volume: 155.6666715796541
  • Molar Volume: 7.812055065778071
  • Full Formula: Nd2 Ni8 B2
  • Reduced Formula: NdNi4B
  • Formula Anonymous: ABC4
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm