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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87988
  • 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: 12
  • Number of elements: 3
  • Element list: ['B', 'Pd', 'Ir']
  • Chemical System: B-Ir-Pd
  • Density: 13.494187632145968
  • Atomic Density: 0.07878276549602892
  • Unit Cell Volume: 152.31757763828264
  • Molar Volume: 7.643982439666387
  • Full Formula: B4 Pd4 Ir4
  • Reduced Formula: BIrPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2