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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12341
  • 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: 12
  • Number of elements: 3
  • Element list: ['Pd', 'Pb', 'F']
  • Chemical System: F-Pb-Pd
  • Density: 6.774877075142732
  • Atomic Density: 0.06283034583791522
  • Unit Cell Volume: 190.99051326180276
  • Molar Volume: 9.584764622393525
  • Full Formula: Pd2 Pb2 F8
  • Reduced Formula: PdPbF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm