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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119208
  • 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: 18
  • Number of elements: 4
  • Element list: ['Ba', 'Sr', 'Pd', 'F']
  • Chemical System: Ba-F-Pd-Sr
  • Density: 4.798422152073696
  • Atomic Density: 0.058396009925747366
  • Unit Cell Volume: 308.24023803831204
  • Molar Volume: 10.312589452014564
  • Full Formula: Ba2 Sr2 Pd2 F12
  • Reduced Formula: BaSrPdF6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 41
  • Spacegroup Symbol: Aea2
  • Crystal System: orthorhombic
  • Pointgroup: mm2