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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91486
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Li', 'Zr', 'Be', 'F']
  • Chemical System: Be-F-Li-Zr
  • Density: 3.054893714101297
  • Atomic Density: 0.09948007205272266
  • Unit Cell Volume: 402.0905813055776
  • Molar Volume: 6.053615197231032
  • Full Formula: Li12 Zr2 Be2 F24
  • Reduced Formula: Li6ZrBeF12
  • Formula Anonymous: ABC6D12
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm