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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10477
  • 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: 4
  • Element list: ['Li', 'Al', 'Pd', 'F']
  • Chemical System: Al-F-Li-Pd
  • Density: 4.224886315985273
  • Atomic Density: 0.09003384495215545
  • Unit Cell Volume: 199.92481726805417
  • Molar Volume: 6.688752172252783
  • Full Formula: Li2 Al2 Pd2 F12
  • Reduced Formula: LiAlPdF6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m