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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114883
  • 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: 3
  • Number of elements: 3
  • Element list: ['Li', 'Al', 'B']
  • Chemical System: Al-B-Li
  • Density: 1.5714351696772395
  • Atomic Density: 0.0634651589374678
  • Unit Cell Volume: 47.27003052109109
  • Molar Volume: 9.488892584250221
  • Full Formula: Li1 Al1 B1
  • Reduced Formula: LiAlB
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm