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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-111734
  • 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: 28
  • Number of elements: 3
  • Element list: ['Pr', 'Ir', 'Br']
  • Chemical System: Br-Ir-Pr
  • Density: 6.467738935095392
  • Atomic Density: 0.03190157583525783
  • Unit Cell Volume: 877.6995890295242
  • Molar Volume: 18.877251679035524
  • Full Formula: Pr12 Ir4 Br12
  • Reduced Formula: Pr3IrBr3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 214
  • Spacegroup Symbol: I4_132
  • Crystal System: cubic
  • Pointgroup: 432