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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29255
  • 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: 28
  • Number of elements: 3
  • Element list: ['Zr', 'Pb', 'F']
  • Chemical System: F-Pb-Zr
  • Density: 7.299721432049142
  • Atomic Density: 0.06816945330731447
  • Unit Cell Volume: 410.74115518828205
  • Molar Volume: 8.834075187388711
  • Full Formula: Zr2 Pb6 F20
  • Reduced Formula: ZrPb3F10
  • Formula Anonymous: AB3C10
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm