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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-64622
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ba', 'Nb', 'Cu']
  • Chemical System: Ba-Cu-Nb
  • Density: 4.870574101010081
  • Atomic Density: 0.024935899202867772
  • Unit Cell Volume: 240.6169495307378
  • Molar Volume: 24.150485655265317
  • Full Formula: Ba4 Nb1 Cu1
  • Reduced Formula: Ba4NbCu
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m