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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21594
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Ba', 'Nd', 'Cu', 'B', 'O']
  • Chemical System: B-Ba-Cu-Nd-O
  • Density: 6.208053426795045
  • Atomic Density: 0.07718609579033879
  • Unit Cell Volume: 233.202623033215
  • Molar Volume: 7.802105675040216
  • Full Formula: Ba2 Nd2 Cu2 B2 O10
  • Reduced Formula: BaNdCuBO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 100
  • Spacegroup Symbol: P4bm
  • Crystal System: tetragonal
  • Pointgroup: 4mm