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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117790
  • 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: 3
  • Number of elements: 2
  • Element list: ['I', 'Br']
  • Chemical System: Br-I
  • Density: 4.5730365071931525
  • Atomic Density: 0.02881577096013958
  • Unit Cell Volume: 104.10965592938167
  • Molar Volume: 20.89876674939683
  • Full Formula: I1 Br2
  • Reduced Formula: IBr2
  • Formula Anonymous: AB2
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1