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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52376
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ca', 'Pb', 'I']
  • Chemical System: Ca-I-Pb
  • Density: 5.0252215543195575
  • Atomic Density: 0.02405305872970704
  • Unit Cell Volume: 249.4485240910181
  • Molar Volume: 25.036902074172698
  • Full Formula: Ca1 Pb1 I4
  • Reduced Formula: CaPbI4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m