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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-10994
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ba', 'Pd', 'F']
  • Chemical System: Ba-F-Pd
  • Density: 5.004099855014796
  • Atomic Density: 0.05654970155435102
  • Unit Cell Volume: 212.20271142309332
  • Molar Volume: 10.64928831536273
  • Full Formula: Ba2 Pd2 F8
  • Reduced Formula: BaPdF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm