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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-93549
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Pb', 'Cl', 'F']
  • Chemical System: Cl-F-Pb
  • Density: 7.0585500568570865
  • Atomic Density: 0.04873765036080926
  • Unit Cell Volume: 123.10810955352699
  • Molar Volume: 12.356239407147338
  • Full Formula: Pb2 Cl2 F2
  • Reduced Formula: PbClF
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm