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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21908
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Nd', 'B', 'O']
  • Chemical System: B-Nd-O
  • Density: 5.546423080483463
  • Atomic Density: 0.08224856715135645
  • Unit Cell Volume: 243.16533032357097
  • Molar Volume: 7.321879235802204
  • Full Formula: Nd4 B4 O12
  • Reduced Formula: NdBO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1