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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-25656
  • 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: ['Pb', 'S', 'O', 'F']
  • Chemical System: F-O-Pb-S
  • Density: 6.9039120034924535
  • Atomic Density: 0.06822509828076086
  • Unit Cell Volume: 263.8325257653152
  • Molar Volume: 8.826870040139195
  • Full Formula: Pb4 S2 O8 F4
  • Reduced Formula: Pb2S(O2F)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m