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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-97341
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'Ir']
  • Chemical System: Ca-Ir-P
  • Density: 12.483878844782428
  • Atomic Density: 0.06407058171752449
  • Unit Cell Volume: 561.8803362628646
  • Molar Volume: 9.399229097919731
  • Full Formula: Ca5 P12 Ir19
  • Reduced Formula: Ca5P12Ir19
  • Formula Anonymous: A5B12C19
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m