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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-32829
  • 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: 12
  • Number of elements: 3
  • Element list: ['Pb', 'I', 'Br']
  • Chemical System: Br-I-Pb
  • Density: 6.689655131398063
  • Atomic Density: 0.029192188882795633
  • Unit Cell Volume: 411.06886668139435
  • Molar Volume: 20.629288143408594
  • Full Formula: Pb4 I4 Br4
  • Reduced Formula: PbIBr
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm