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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-65570
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ba', 'P', 'Ir']
  • Chemical System: Ba-Ir-P
  • Density: 11.42737619413206
  • Atomic Density: 0.04980129545919034
  • Unit Cell Volume: 80.3191957783066
  • Molar Volume: 12.092337567674
  • Full Formula: Ba1 P1 Ir2
  • Reduced Formula: BaPIr2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm