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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-89268
  • 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: 32
  • Number of elements: 4
  • Element list: ['Pb', 'C', 'Br', 'O']
  • Chemical System: Br-C-O-Pb
  • Density: 6.564421586352158
  • Atomic Density: 0.04986542719332338
  • Unit Cell Volume: 641.7271805561624
  • Molar Volume: 12.076785658834828
  • Full Formula: Pb8 C4 Br8 O12
  • Reduced Formula: Pb2CBr2O3
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm