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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120563
  • 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: 22
  • Number of elements: 3
  • Element list: ['Ba', 'Al', 'N']
  • Chemical System: Al-Ba-N
  • Density: 5.133786897305102
  • Atomic Density: 0.06040940650473596
  • Unit Cell Volume: 364.18169409221474
  • Molar Volume: 9.968879200175353
  • Full Formula: Ba6 Al6 N10
  • Reduced Formula: Ba3Al3N5
  • Formula Anonymous: A3B3C5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1