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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56863
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ba', 'Li', 'Nb', 'N']
  • Chemical System: Ba-Li-N-Nb
  • Density: 4.7222570564584565
  • Atomic Density: 0.0639906509538636
  • Unit Cell Volume: 312.5456563087588
  • Molar Volume: 9.410969681089638
  • Full Formula: Ba4 Li6 Nb2 N8
  • Reduced Formula: Ba2Li3NbN4
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m